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

Systemtic Name: N-bromanyl-2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: 2-(3-benzylpiperazin-1-yl)-N-bromo-2-(4-isopropylsulfonylphenyl)ethanamine CAS Name: N-bromo-2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine IUPAC Name: 2-(3-benzylpiperazin-1-yl)-N-bromo-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: [2-(3-benzylpiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]-bromo-amine Formula: C22H30BrN3O2S MolecularWeight: 480.4615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNBr)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNBr)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30BrN3O2S/c1-17(2)29(27,28)21-10-8-19(9-11-21)22(15-25-23)26-13-12-24-20(16-26)14-18-6-4-3-5-7-18/h3-11,17,20,22,24-25H,12-16H2,1-2H3