(5-methyl-1,2-benzothiazol-3-yl)-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-methyl-1,2-benzothiazol-3-yl)-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(4-isobutylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone CAS Name: (5-methyl-1,2-benzothiazol-3-yl)-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-methyl-1,2-benzothiazol-3-yl)-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(4-isobutylphenyl)sulfonylpiperazino]-(5-methyl-1,2-benzothiazol-3-yl)methanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)CC(C)C

InChI

InChI=1S/C23H27N3O3S2/c1-16(2)14-18-5-7-19(8-6-18)31(28,29)26-12-10-25(11-13-26)23(27)22-20-15-17(3)4-9-21(20)30-24-22/h4-9,15-16H,10-14H2,1-3H3