N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)C

InChI

InChI=1S/C21H22N6O4S/c1-14-10-15(2)27(25-14)19-7-6-17(12-23-19)24-21(29)16-4-3-5-18(11-16)32(30,31)26-9-8-22-20(28)13-26/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,28)(H,24,29)