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

Systemtic Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidyl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidinyl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-[(1-o-anisyl-4-piperidyl)methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCC(CC2)CNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

COC1=CC=CC=C1CN2CCC(CC2)CNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C24H31N3O4S/c1-31-23-7-3-2-5-20(23)17-27-13-11-18(12-14-27)16-25-32(29,30)21-9-10-22-19(15-21)6-4-8-24(28)26-22/h2-3,5,7,9-10,15,18,25H,4,6,8,11-14,16-17H2,1H3,(H,26,28)