methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-2-yl]hex-5-enoate

Systemtic Name: methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-2-yl]hex-5-enoate Openeye Name: methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-2-yl]hex-5-enoate CAS Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-(1H-pyrrol-2-ylmethyl)-2-pyrrolidinyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-2-yl]hex-5-enoate Traditional Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid methyl ester Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CC1CC(CN1CC2=CC=CN2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC/C=C/C1CC(CN1CC2=CC=CN2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O4S/c1-30-22(27)8-4-2-3-7-20-14-19(16-26(20)15-18-6-5-13-24-18)25-31(28,29)21-11-9-17(23)10-12-21/h3,5-7,9-13,19-20,24-25H,2,4,8,14-16H2,1H3/b7-3+