2-(3,4-dimethylphenyl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C24H26N2O3S2/c1-18-7-9-22(15-19(18)2)30-17-24(27)25-11-13-26(14-12-25)31(28,29)23-10-8-20-5-3-4-6-21(20)16-23/h3-10,15-16H,11-14,17H2,1-2H3