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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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