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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]-3-tosyl-propan-1-one Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S2/c1-17(2)20-5-4-6-21-23(20)25-24(31-21)27-14-12-26(13-15-27)22(28)11-16-32(29,30)19-9-7-18(3)8-10-19/h4-10,17H,11-16H2,1-3H3