N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-piperidinosulfonyl-benzamide Formula: C25H27N5O3S2 MolecularWeight: 509.64358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C

InChI

InChI=1S/C25H27N5O3S2/c1-16-13-17(2)23-21(14-16)34-25(27-23)30-22(15-18(3)28-30)26-24(31)19-7-9-20(10-8-19)35(32,33)29-11-5-4-6-12-29/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,26,31)