methyl 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[5-(1-azepanylsulfonyl)-2-methoxyanilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-14-19(22(27)31-4)15(2)23-20(14)21(26)24-17-13-16(9-10-18(17)30-3)32(28,29)25-11-7-5-6-8-12-25/h9-10,13,23H,5-8,11-12H2,1-4H3,(H,24,26)