[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O5S/c20-15-8-7-14(19(24)27-13-17(23)16-6-5-9-21-16)12-18(15)28(25,26)22-10-3-1-2-4-11-22/h5-9,12,21H,1-4,10-11,13H2