3-(phenylmethyl)-7-(3-piperidin-4-ylpropylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-(phenylmethyl)-7-(3-piperidin-4-ylpropylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-benzyl-7-[3-(4-piperidyl)propylsulfonyl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(phenylmethyl)-7-[3-(4-piperidinyl)propylsulfonyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-benzyl-7-(3-piperidin-4-ylpropylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-benzyl-7-[3-(4-piperidyl)propylsulfonyl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCS(=O)(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CNCCC1CCCS(=O)(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H34N2O2S/c28-30(29,18-4-7-21-10-14-26-15-11-21)25-9-8-23-12-16-27(17-13-24(23)19-25)20-22-5-2-1-3-6-22/h1-3,5-6,8-9,19,21,26H,4,7,10-18,20H2