3-butyl-N2-methyl-4-(3-methylphenyl)sulfonyl-N2-(quinolin-6-ylmethyl)-1H-pyrrole-2,5-dicarboxamide

Systemtic Name: 3-butyl-N2-methyl-4-(3-methylphenyl)sulfonyl-N2-(quinolin-6-ylmethyl)-1H-pyrrole-2,5-dicarboxamide Openeye Name: 3-butyl-N2-methyl-4-(m-tolylsulfonyl)-N2-(6-quinolylmethyl)-1H-pyrrole-2,5-dicarboxamide CAS Name: 3-butyl-N2-methyl-4-(3-methylphenyl)sulfonyl-N2-(6-quinolinylmethyl)-1H-pyrrole-2,5-dicarboxamide IUPAC Name: 3-butyl-2-N-methyl-4-(3-methylphenyl)sulfonyl-2-N-(quinolin-6-ylmethyl)-1H-pyrrole-2,5-dicarboxamide Traditional Name: 3-butyl-N-methyl-4-(m-tolylsulfonyl)-N-(6-quinolylmethyl)-1H-pyrrole-2,5-dicarboxamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1S(=O)(=O)C2=CC=CC(=C2)C)C(=O)N)C(=O)N(C)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CCCCC1=C(NC(=C1S(=O)(=O)C2=CC=CC(=C2)C)C(=O)N)C(=O)N(C)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C28H30N4O4S/c1-4-5-11-22-24(28(34)32(3)17-19-12-13-23-20(16-19)9-7-14-30-23)31-25(27(29)33)26(22)37(35,36)21-10-6-8-18(2)15-21/h6-10,12-16,31H,4-5,11,17H2,1-3H3,(H2,29,33)