4-(4-methylphenyl)sulfonyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfonyl)butan-1-one CAS Name: 4-(4-methylphenyl)sulfonyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methylphenyl)sulfonyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]-4-tosyl-butan-1-one Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

InChI=1S/C25H31N3O3S2/c1-18(2)21-6-4-7-22-24(21)26-25(32-22)28-15-13-27(14-16-28)23(29)8-5-17-33(30,31)20-11-9-19(3)10-12-20/h4,6-7,9-12,18H,5,8,13-17H2,1-3H3