8-methoxy-3-methyl-7-[4-[4-(2-methylphenyl)piperidin-1-yl]phenyl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 8-methoxy-3-methyl-7-[4-[4-(2-methylphenyl)piperidin-1-yl]phenyl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 8-methoxy-3-methyl-7-[4-[4-(o-tolyl)-1-piperidyl]phenyl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 8-methoxy-3-methyl-7-[4-[4-(2-methylphenyl)-1-piperidinyl]phenyl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 8-methoxy-3-methyl-7-[4-[4-(2-methylphenyl)piperidin-1-yl]phenyl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 8-methoxy-3-methyl-7-[4-[4-(o-tolyl)piperidino]phenyl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C4=C(C=C5CCN(CCC5=C4)C)OC

Isomeric SMILES

CC1=CC=CC=C1C2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C4=C(C=C5CCN(CCC5=C4)C)OC

InChI

InChI=1S/C30H36N2O3S/c1-22-6-4-5-7-28(22)23-14-18-32(19-15-23)26-8-10-27(11-9-26)36(33,34)30-21-25-13-17-31(2)16-12-24(25)20-29(30)35-3/h4-11,20-21,23H,12-19H2,1-3H3