2-[(2-methylsulfanylphenyl)amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2-methylsulfanylphenyl)amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(2-methylsulfanylanilino)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[2-(methylthio)anilino]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-methylsulfanylanilino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(methylthio)anilino]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O3S2/c1-30-22-9-5-4-8-21(22)24-17-23(27)25-12-14-26(15-13-25)31(28,29)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16,24H,12-15,17H2,1H3