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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-quinoline-8-sulfonamide Openeye Name: N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-N-pentyl-quinoline-8-sulfonamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-N-pentyl-8-quinolinesulfonamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylquinoline-8-sulfonamide Traditional Name: N-amyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]quinoline-8-sulfonamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O2S/c1-3-4-7-19-30(33(31,32)26-16-8-13-23-14-9-17-28-27(23)26)21-25-15-10-18-29(25)20-24-12-6-5-11-22(24)2/h5-6,8-18H,3-4,7,19-21H2,1-2H3