[2-(1,3-benzothiazol-2-yl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-(1,3-benzothiazol-2-yl)phenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)phenyl]-(4-tosylpiperazino)methanone Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O3S2/c1-18-10-12-19(13-11-18)33(30,31)28-16-14-27(15-17-28)25(29)21-7-3-2-6-20(21)24-26-22-8-4-5-9-23(22)32-24/h2-13H,14-17H2,1H3