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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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