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

Systemtic Name: 2-[methyl(naphthalen-2-ylmethyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[methyl(2-naphthylmethyl)amino]ethanone CAS Name: 2-[methyl(2-naphthalenylmethyl)amino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[methyl(naphthalen-2-ylmethyl)amino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[methyl(2-naphthylmethyl)amino]ethanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-26(18-22-11-12-23-9-5-6-10-24(23)17-22)19-25(29)27-13-15-28(16-14-27)32(30,31)20-21-7-3-2-4-8-21/h2-12,17H,13-16,18-20H2,1H3