methyl (4Z)-4-[(3aR,4S,5R,6aR)-6a-[[(4-chlorophenyl)sulfonylamino]methyl]-4-[(3S)-3-cyclohexyl-3-oxidanyl-prop-1-ynyl]-5-oxidanyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]butanoate

Systemtic Name: methyl (4Z)-4-[(3aR,4S,5R,6aR)-6a-[[(4-chlorophenyl)sulfonylamino]methyl]-4-[(3S)-3-cyclohexyl-3-oxidanyl-prop-1-ynyl]-5-oxidanyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]butanoate Openeye Name: methyl (4Z)-4-[(3aR,4S,5R,6aR)-6a-[[(4-chlorophenyl)sulfonylamino]methyl]-4-[(3S)-3-cyclohexyl-3-hydroxy-prop-1-ynyl]-5-hydroxy-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]butanoate CAS Name: (4Z)-4-[(3aR,4S,5R,6aR)-6a-[[(4-chlorophenyl)sulfonylamino]methyl]-4-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-5-hydroxy-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]butanoic acid methyl ester IUPAC Name: methyl (4Z)-4-[(3aR,4S,5R,6aR)-6a-[[(4-chlorophenyl)sulfonylamino]methyl]-4-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-5-hydroxy-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]butanoate Traditional Name: (4Z)-4-[(3aR,4S,5R,6aR)-6a-[[(4-chlorophenyl)sulfonylamino]methyl]-4-[(3S)-3-cyclohexyl-3-hydroxy-prop-1-ynyl]-5-hydroxy-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]butyric acid methyl ester Formula: C29H38ClNO6S MolecularWeight: 564.13312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC=C1CC2C(C(CC2(C1)CNS(=O)(=O)C3=CC=C(C=C3)Cl)O)C#CC(C4CCCCC4)O

Isomeric SMILES

COC(=O)CC/C=C\1/C[C@@H]2[C@H]([C@@H](C[C@@]2(C1)CNS(=O)(=O)C3=CC=C(C=C3)Cl)O)C#C[C@H](C4CCCCC4)O

InChI

InChI=1S/C29H38ClNO6S/c1-37-28(34)9-5-6-20-16-25-24(14-15-26(32)21-7-3-2-4-8-21)27(33)18-29(25,17-20)19-31-38(35,36)23-12-10-22(30)11-13-23/h6,10-13,21,24-27,31-33H,2-5,7-9,16-19H2,1H3/b20-6-/t24-,25-,26-,27-,29+/m1/s1