[2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-[(4-methoxyphenyl)carbamoylamino]ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27N3O7S/c1-32-19-11-9-18(10-12-19)24-23(29)25-21(27)16-33-22(28)17-7-6-8-20(15-17)34(30,31)26-13-4-2-3-5-14-26/h6-12,15H,2-5,13-14,16H2,1H3,(H2,24,25,27,29)