2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate CAS Name: 2-[[4-(1-azepanylsulfonyl)anilino]-oxomethyl]benzoate IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate Formula: C20H21N2O5S- MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c23-19(17-7-3-4-8-18(17)20(24)25)21-15-9-11-16(12-10-15)28(26,27)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,23)(H,24,25)/p-1