4-chloranyl-N-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-chloro-N-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-chloro-N-[3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 4-chloro-N-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-chloro-N-[3-keto-3-[4-(3-nitrophenyl)sulfonylpiperazino]propyl]benzamide Formula: C20H21ClN4O6S MolecularWeight: 480.92194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O6S/c21-16-6-4-15(5-7-16)20(27)22-9-8-19(26)23-10-12-24(13-11-23)32(30,31)18-3-1-2-17(14-18)25(28)29/h1-7,14H,8-13H2,(H,22,27)