(1-methylpyrazol-3-yl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (1-methylpyrazol-3-yl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (1-methylpyrazol-3-yl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (1-methyl-3-pyrazolyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (1-methylpyrazol-3-yl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-(1-methylpyrazol-3-yl)methanone Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CN1C=CC(=N1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C17H19N5O3S2/c1-20-7-6-12(19-20)16(23)21-8-10-22(11-9-21)17-18-15-13(26-17)4-3-5-14(15)27(2,24)25/h3-7H,8-11H2,1-2H3