1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide

Systemtic Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide Openeye Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxo-cyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide CAS Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-1-oxopropyl)amino]-6-oxo-1-cyclohexa-1,4-dienyl]-4-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonylpropanoyl)amino]-6-oxocyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide Traditional Name: N-[6-keto-4-[(2-mesyl-2-methyl-propanoyl)amino]cyclohexa-1,4-dien-1-yl]-1-methyl-pyrazole-4-carboxamide Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=O)C(=CC1)NC(=O)C2=CN(N=C2)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=O)C(=CC1)NC(=O)C2=CN(N=C2)C)S(=O)(=O)C

InChI

InChI=1S/C16H20N4O5S/c1-16(2,26(4,24)25)15(23)18-11-5-6-12(13(21)7-11)19-14(22)10-8-17-20(3)9-10/h6-9H,5H2,1-4H3,(H,18,23)(H,19,22)