N-bromanyl-2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine

Systemtic Name: N-bromanyl-2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Openeye Name: N-bromo-2-(4-ethylphenyl)-2-(3-isopropylsulfonylpiperazin-1-yl)ethanamine CAS Name: N-bromo-2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethanamine IUPAC Name: N-bromo-2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Traditional Name: bromo-[2-(4-ethylphenyl)-2-(3-isopropylsulfonylpiperazino)ethyl]amine Formula: C17H28BrN3O2S MolecularWeight: 418.39212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNBr)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNBr)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C17H28BrN3O2S/c1-4-14-5-7-15(8-6-14)16(11-20-18)21-10-9-19-17(12-21)24(22,23)13(2)3/h5-8,13,16-17,19-20H,4,9-12H2,1-3H3