8-[3-[4-(4-methylphenyl)piperidin-1-yl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine

Systemtic Name: 8-[3-[4-(4-methylphenyl)piperidin-1-yl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine Openeye Name: 2-methylsulfonyl-8-[3-[4-(p-tolyl)-1-piperidyl]propoxy]-1,3,4,5-tetrahydro-2-benzazepine CAS Name: 8-[3-[4-(4-methylphenyl)-1-piperidinyl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine IUPAC Name: 8-[3-[4-(4-methylphenyl)piperidin-1-yl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine Traditional Name: 2-mesyl-8-[3-[4-(p-tolyl)piperidino]propoxy]-1,3,4,5-tetrahydro-2-benzazepine Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCN(CC2)CCCOC3=CC4=C(CCCN(C4)S(=O)(=O)C)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2CCN(CC2)CCCOC3=CC4=C(CCCN(C4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C26H36N2O3S/c1-21-6-8-23(9-7-21)24-12-16-27(17-13-24)14-4-18-31-26-11-10-22-5-3-15-28(32(2,29)30)20-25(22)19-26/h6-11,19,24H,3-5,12-18,20H2,1-2H3