(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C19H20ClNO5S2 MolecularWeight: 441.9488

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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=CS3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C19H20ClNO5S2/c20-15-8-7-14(19(23)26-13-16(22)17-6-5-11-27-17)12-18(15)28(24,25)21-9-3-1-2-4-10-21/h5-8,11-12H,1-4,9-10,13H2