[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O6S/c1-17-11-12-22(31-3)21(15-17)25-23(27)18(2)32-24(28)19-9-8-10-20(16-19)33(29,30)26-13-6-4-5-7-14-26/h8-12,15-16,18H,4-7,13-14H2,1-3H3,(H,25,27)