[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCCC3

InChI

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