[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O6S/c27-21(25-23(29)24-16-18-9-4-3-5-10-18)17-32-22(28)19-11-8-12-20(15-19)33(30,31)26-13-6-1-2-7-14-26/h3-5,8-12,15H,1-2,6-7,13-14,16-17H2,(H2,24,25,27,29)