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

Systemtic Name: 3-butyl-N2-methyl-4-(phenylsulfonyl)-N2-(quinolin-6-ylmethyl)-1H-pyrrole-2,5-dicarboxamide Openeye Name: 3-(benzenesulfonyl)-4-butyl-N5-methyl-N5-(6-quinolylmethyl)-1H-pyrrole-2,5-dicarboxamide CAS Name: 3-(benzenesulfonyl)-4-butyl-N5-methyl-N5-(6-quinolinylmethyl)-1H-pyrrole-2,5-dicarboxamide IUPAC Name: 3-(benzenesulfonyl)-4-butyl-5-N-methyl-5-N-(quinolin-6-ylmethyl)-1H-pyrrole-2,5-dicarboxamide Traditional Name: 3-besyl-4-butyl-N'-methyl-N'-(6-quinolylmethyl)-1H-pyrrole-2,5-dicarboxamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N4O4S/c1-3-4-12-21-23(27(33)31(2)17-18-13-14-22-19(16-18)9-8-15-29-22)30-24(26(28)32)25(21)36(34,35)20-10-6-5-7-11-20/h5-11,13-16,30H,3-4,12,17H2,1-2H3,(H2,28,32)