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

Systemtic Name: methyl 2-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-2-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-2-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-2-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)C

InChI

InChI=1S/C23H29N3O6S/c1-15-21(23(29)32-3)19(25-22(15)16(2)27)14-20(28)24-17-9-8-10-18(13-17)33(30,31)26-11-6-4-5-7-12-26/h8-10,13,25H,4-7,11-12,14H2,1-3H3,(H,24,28)