[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C21H24N2O5S/c24-20(19-6-5-13-22-19)16-28-21(25)12-9-17-7-10-18(11-8-17)29(26,27)23-14-3-1-2-4-15-23/h5-13,22H,1-4,14-16H2