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

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-methoxyphenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O4S2/c1-16-3-8-19-20(15-16)30-22(23-19)25-12-10-24(11-13-25)21(26)9-14-31(27,28)18-6-4-17(29-2)5-7-18/h3-8,15H,9-14H2,1-2H3