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

Systemtic Name: ethyl 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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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)N3CCCCCC3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C23H31N3O6S/c1-5-32-23(28)20-15(2)21(24-16(20)3)22(27)25-18-14-17(10-11-19(18)31-4)33(29,30)26-12-8-6-7-9-13-26/h10-11,14,24H,5-9,12-13H2,1-4H3,(H,25,27)