N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-[(2-chlorophenyl)methyl]-3-pyrazolyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(2-chlorobenzyl)pyrazol-3-yl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN5O4S/c22-18-7-2-1-4-16(18)13-27-19(8-9-24-27)25-21(29)15-5-3-6-17(12-15)32(30,31)26-11-10-23-20(28)14-26/h1-9,12H,10-11,13-14H2,(H,23,28)(H,25,29)