[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C25H32N2O6S/c1-4-19-11-9-10-18(2)24(19)26-23(28)17-33-25(29)20-12-13-21(32-3)22(16-20)34(30,31)27-14-7-5-6-8-15-27/h9-13,16H,4-8,14-15,17H2,1-3H3,(H,26,28)