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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CC=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CC=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C30H36N2O3S/c1-31-16-14-25-21-29(35-2)30(22-26(25)15-17-31)36(33,34)28-10-8-27(9-11-28)32-18-12-24(13-19-32)20-23-6-4-3-5-7-23/h3-11,21-22,24H,12-20H2,1-2H3