2-[(4-bromophenyl)methyl-methyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-bromophenyl)methyl-methyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-bromophenyl)methyl-methyl-amino]ethanone CAS Name: 2-[(4-bromophenyl)methyl-methylamino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-bromophenyl)methyl-methylamino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(4-bromobenzyl)-methyl-amino]ethanone Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O3S/c1-23(15-18-7-9-20(22)10-8-18)16-21(26)24-11-13-25(14-12-24)29(27,28)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3