(3,4-dimethylphenyl)-[2-[4-(phenylsulfonyl)piperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[2-[4-(phenylsulfonyl)piperazin-1-yl]carbonylphenyl]methanone Openeye Name: [2-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-(3,4-dimethylphenyl)methanone CAS Name: [2-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]phenyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [2-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-(3,4-dimethylphenyl)methanone Traditional Name: [2-(4-besylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylphenyl)methanone Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2O4S/c1-19-12-13-21(18-20(19)2)25(29)23-10-6-7-11-24(23)26(30)27-14-16-28(17-15-27)33(31,32)22-8-4-3-5-9-22/h3-13,18H,14-17H2,1-2H3