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

Systemtic Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazino]-3-tosyl-propan-1-one Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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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(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OC

InChI

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