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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-(phenylmethyl)quinoline-8-sulfonamide Openeye Name: N-benzyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-N-(phenylmethyl)-8-quinolinesulfonamide IUPAC Name: N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-benzyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]quinoline-8-sulfonamide Formula: C29H27N3O2S MolecularWeight: 481.60858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H27N3O2S/c1-23-10-5-6-13-26(23)21-31-19-9-16-27(31)22-32(20-24-11-3-2-4-12-24)35(33,34)28-17-7-14-25-15-8-18-30-29(25)28/h2-19H,20-22H2,1H3