N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: 2-oxo-N-[[1-(p-tolylmethyl)-4-piperidyl]methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[[1-[(4-methylphenyl)methyl]-4-piperidinyl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-[[1-(4-methylbenzyl)-4-piperidyl]methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)CNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)CNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C24H31N3O3S/c1-18-5-7-20(8-6-18)17-27-13-11-19(12-14-27)16-25-31(29,30)22-9-10-23-21(15-22)3-2-4-24(28)26-23/h5-10,15,19,25H,2-4,11-14,16-17H2,1H3,(H,26,28)