N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-butyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]quinoline-8-sulfonamide CAS Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-butyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]quinoline-8-sulfonamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-3-4-18-29(32(30,31)25-15-7-12-22-13-8-16-27-26(22)25)20-24-14-9-17-28(24)19-23-11-6-5-10-21(23)2/h5-17H,3-4,18-20H2,1-2H3