5-azanyl-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methylsulfonyl-N-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methylsulfonyl-N-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 5-amino-N-benzyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylsulfonyl-pyrazole-4-carboxamide CAS Name: 5-amino-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methylsulfonyl-N-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 5-amino-N-benzyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylsulfonylpyrazole-4-carboxamide Traditional Name: 5-amino-N-benzyl-1-[(3S)-1,1-diketothiolan-3-yl]-3-mesyl-pyrazole-4-carboxamide Formula: C16H20N4O5S2 MolecularWeight: 412.4838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN(C(=C1C(=O)NCC2=CC=CC=C2)N)C3CCS(=O)(=O)C3

Isomeric SMILES

CS(=O)(=O)C1=NN(C(=C1C(=O)NCC2=CC=CC=C2)N)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H20N4O5S2/c1-26(22,23)16-13(15(21)18-9-11-5-3-2-4-6-11)14(17)20(19-16)12-7-8-27(24,25)10-12/h2-6,12H,7-10,17H2,1H3,(H,18,21)/t12-/m0/s1