3-(4-methylpiperazin-1-yl)sulfonyl-1-[2-(phenylmethyl)-1,3-thiazol-5-yl]propan-1-one

Systemtic Name: 3-(4-methylpiperazin-1-yl)sulfonyl-1-[2-(phenylmethyl)-1,3-thiazol-5-yl]propan-1-one Openeye Name: 1-(2-benzylthiazol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-propan-1-one CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]-1-[2-(phenylmethyl)-5-thiazolyl]-1-propanone IUPAC Name: 1-(2-benzyl-1,3-thiazol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-one Traditional Name: 1-(2-benzylthiazol-5-yl)-3-(4-methylpiperazino)sulfonyl-propan-1-one Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CCC(=O)C2=CN=C(S2)CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CCC(=O)C2=CN=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S2/c1-20-8-10-21(11-9-20)26(23,24)12-7-16(22)17-14-19-18(25-17)13-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3