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

Systemtic Name: 8-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine Openeye Name: 8-[3-[4-(4-methoxyphenyl)-1-piperidyl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine CAS Name: 8-[3-[4-(4-methoxyphenyl)-1-piperidinyl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine IUPAC Name: 8-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propoxy]-2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine Traditional Name: 2-mesyl-8-[3-[4-(4-methoxyphenyl)piperidino]propoxy]-1,3,4,5-tetrahydro-2-benzazepine Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCN(CC2)CCCOC3=CC4=C(CCCN(C4)S(=O)(=O)C)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCN(CC2)CCCOC3=CC4=C(CCCN(C4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C26H36N2O4S/c1-31-25-9-6-22(7-10-25)23-12-16-27(17-13-23)14-4-18-32-26-11-8-21-5-3-15-28(33(2,29)30)20-24(21)19-26/h6-11,19,23H,3-5,12-18,20H2,1-2H3