N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-quinoline-8-sulfonamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-quinoline-8-sulfonamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-quinoline-8-sulfonamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexyl-8-quinolinesulfonamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylquinoline-8-sulfonamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-quinoline-8-sulfonamide Formula: C27H28BrN3O2S MolecularWeight: 538.49912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H28BrN3O2S/c28-23-15-13-21(14-16-23)19-30-18-6-11-25(30)20-31(24-9-2-1-3-10-24)34(32,33)26-12-4-7-22-8-5-17-29-27(22)26/h4-8,11-18,24H,1-3,9-10,19-20H2