1-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 3-benzylsulfonyl-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 3-benzylsulfonyl-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzylsulfonyl-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H24ClN3O3S2/c1-16-18(23)7-8-19-21(16)24-22(30-19)26-12-10-25(11-13-26)20(27)9-14-31(28,29)15-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3