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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

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