[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(5-chloro-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonylamino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-chloro-2-thienyl)sulfonylamino]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H21ClN2O5S2/c20-16-9-10-18(28-16)29(25,26)21-15-8-4-3-7-14(15)19(24)27-13-17(23)22-11-5-1-2-6-12-22/h3-4,7-10,21H,1-2,5-6,11-13H2