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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-methylphenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(p-tolylsulfonyl)butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(4-methylphenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-methylphenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-4-tosyl-butan-1-one Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N2O3S2/c1-17-8-10-19(11-9-17)30(27,28)16-4-7-22(26)25-14-12-18(13-15-25)23-24-20-5-2-3-6-21(20)29-23/h2-3,5-6,8-11,18H,4,7,12-16H2,1H3