[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27ClN2O6S/c1-16(22(27)25-18-8-10-19(31-2)11-9-18)32-23(28)17-7-12-20(24)21(15-17)33(29,30)26-13-5-3-4-6-14-26/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,27)