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

Systemtic Name: ethyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(1-azepanylsulfonyl)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-4-30-22(27)19-15(2)20(23-16(19)3)21(26)24-17-9-11-18(12-10-17)31(28,29)25-13-7-5-6-8-14-25/h9-12,23H,4-8,13-14H2,1-3H3,(H,24,26)