3-[2-(phenylsulfonyl)ethyl]-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-[2-(phenylsulfonyl)ethyl]-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[2-(benzenesulfonyl)ethyl]-7-[3-(1-piperidyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[2-(benzenesulfonyl)ethyl]-7-[3-(1-piperidinyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[2-(benzenesulfonyl)ethyl]-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(2-besylethyl)-7-(3-piperidinopropoxy)-1,2,4,5-tetrahydro-3-benzazepine Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)CCS(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)CCS(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H36N2O3S/c29-32(30,26-8-3-1-4-9-26)21-19-28-17-12-23-10-11-25(22-24(23)13-18-28)31-20-7-16-27-14-5-2-6-15-27/h1,3-4,8-11,22H,2,5-7,12-21H2