N-(phenylmethyl)-2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine

Systemtic Name: N-(phenylmethyl)-2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: N-benzyl-2-(3-benzylpiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethanamine CAS Name: N-(phenylmethyl)-2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine IUPAC Name: N-benzyl-2-(3-benzylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: benzyl-[2-(3-benzylpiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]amine Formula: C29H37N3O2S MolecularWeight: 491.68798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H37N3O2S/c1-23(2)35(33,34)28-15-13-26(14-16-28)29(21-30-20-25-11-7-4-8-12-25)32-18-17-31-27(22-32)19-24-9-5-3-6-10-24/h3-16,23,27,29-31H,17-22H2,1-2H3