methyl (E)-6-[4-(phenylsulfonylamino)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoate

Systemtic Name: methyl (E)-6-[4-(phenylsulfonylamino)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoate Openeye Name: methyl (E)-6-[4-(benzenesulfonamido)-1-(3-pyridylmethyl)pyrrolidin-2-yl]hex-5-enoate CAS Name: (E)-6-[4-(benzenesulfonamido)-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-(benzenesulfonamido)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoate Traditional Name: (E)-6-[4-(benzenesulfonamido)-1-(3-pyridylmethyl)pyrrolidin-2-yl]hex-5-enoic acid methyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CC1CC(CN1CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC/C=C/C1CC(CN1CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S/c1-30-23(27)13-7-2-4-10-21-15-20(18-26(21)17-19-9-8-14-24-16-19)25-31(28,29)22-11-5-3-6-12-22/h3-6,8-12,14,16,20-21,25H,2,7,13,15,17-18H2,1H3/b10-4+