3-[(2-methylphenyl)methyl]-7-(3-piperidin-4-ylpropylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-[(2-methylphenyl)methyl]-7-(3-piperidin-4-ylpropylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(o-tolylmethyl)-7-[3-(4-piperidyl)propylsulfonyl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[(2-methylphenyl)methyl]-7-[3-(4-piperidinyl)propylsulfonyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[(2-methylphenyl)methyl]-7-(3-piperidin-4-ylpropylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(2-methylbenzyl)-7-[3-(4-piperidyl)propylsulfonyl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC3=C(CC2)C=C(C=C3)S(=O)(=O)CCCC4CCNCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCC3=C(CC2)C=C(C=C3)S(=O)(=O)CCCC4CCNCC4

InChI

InChI=1S/C26H36N2O2S/c1-21-5-2-3-7-25(21)20-28-16-12-23-8-9-26(19-24(23)13-17-28)31(29,30)18-4-6-22-10-14-27-15-11-22/h2-3,5,7-9,19,22,27H,4,6,10-18,20H2,1H3