ethyl 5-[[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H36N4O6S MolecularWeight: 532.65224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)C

InChI

InChI=1S/C26H36N4O6S/c1-4-36-26(32)23-18(2)24(27-19(23)3)25(31)28-21-17-20(37(33,34)30-13-15-35-16-14-30)9-10-22(21)29-11-7-5-6-8-12-29/h9-10,17,27H,4-8,11-16H2,1-3H3,(H,28,31)