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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-isopropylsulfonyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-propan-2-ylsulfonylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-isopropylsulfonyl-benzamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O3S2/c1-13(2)30(27,28)16-10-8-15(9-11-16)20(26)23-19-12-14(3)24-25(19)21-22-17-6-4-5-7-18(17)29-21/h4-13H,1-3H3,(H,23,26)