3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1-ethyl-3-methyl-4-pyrazolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C=C(C(=N1)C)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H20N4O3S2/c1-4-21-10-12(11(2)20-21)5-8-16(22)19-17-18-14-7-6-13(26(3,23)24)9-15(14)25-17/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)