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

Systemtic Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-cyclohexyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]quinoline-8-sulfonamide CAS Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-cyclohexyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]quinoline-8-sulfonamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H31N3O2S/c1-22-10-5-6-11-24(22)20-30-19-9-16-26(30)21-31(25-14-3-2-4-15-25)34(32,33)27-17-7-12-23-13-8-18-29-28(23)27/h5-13,16-19,25H,2-4,14-15,20-21H2,1H3