1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfonyl-butan-1-one CAS Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-methoxyphenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-4-(4-methoxyphenyl)sulfonyl-butan-1-one Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H29N3O4S2/c1-17-15-18(2)23-21(16-17)32-24(25-23)27-12-10-26(11-13-27)22(28)5-4-14-33(29,30)20-8-6-19(31-3)7-9-20/h6-9,15-16H,4-5,10-14H2,1-3H3