2-[(1S,4S,5S)-4-[[(4-acetamidophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]ethanoate

Systemtic Name: 2-[(1S,4S,5S)-4-[[(4-acetamidophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]ethanoate Openeye Name: 2-[(1S,4S,5S)-4-[[(4-acetamidophenyl)sulfonylamino]methyl]-5-isopropyl-2-methyl-cyclohex-2-en-1-yl]acetate CAS Name: 2-[(1S,4S,5S)-4-[[(4-acetamidophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-yl-1-cyclohex-2-enyl]acetate IUPAC Name: 2-[(1S,4S,5S)-4-[[(4-acetamidophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetate Traditional Name: 2-[(1S,4S,5S)-4-[[(4-acetamidophenyl)sulfonylamino]methyl]-5-isopropyl-2-methyl-cyclohex-2-en-1-yl]acetate Formula: C21H29N2O5S- MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1CC(=O)[O-])C(C)C)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=C[C@H]([C@@H](C[C@H]1CC(=O)[O-])C(C)C)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H30N2O5S/c1-13(2)20-10-16(11-21(25)26)14(3)9-17(20)12-22-29(27,28)19-7-5-18(6-8-19)23-15(4)24/h5-9,13,16-17,20,22H,10-12H2,1-4H3,(H,23,24)(H,25,26)/p-1/t16-,17-,20-/m0/s1