[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O6S/c1-15-9-10-19(13-20(15)34(31,32)27-11-7-5-6-8-12-27)26-21(29)14-33-24(30)23-16(2)22(18(4)28)17(3)25-23/h9-10,13,25H,5-8,11-12,14H2,1-4H3,(H,26,29)