N-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-3-phenyl-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: N-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-3-phenyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)-3-phenyl-pyrazole-4-sulfonamide CAS Name: N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-3-phenyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)-3-phenyl-pyrazole-4-sulfonamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NS(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NS(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O4S/c1-25-19(13-20(28)26(2)22(25)29)24-32(30,31)18-15-27(14-16-9-5-3-6-10-16)23-21(18)17-11-7-4-8-12-17/h3-13,15,24H,14H2,1-2H3