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

Systemtic Name: methyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate CAS Name: 4-[[3-(1-azepanylsulfonyl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[3-(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=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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