[4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [4-(methylcarbamoyl)phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-22-20(24)16-9-11-18(12-10-16)28-21(25)17-7-6-8-19(15-17)29(26,27)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14H2,1H3,(H,22,24)