4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide

Systemtic Name: 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: 4-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: 4-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: 4-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: 4-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(3-methylpiperidino)sulfonyl-benzamide Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C21H24ClN3O6S/c1-14-3-2-10-24(13-14)32(30,31)20-11-16(6-9-18(20)22)21(27)23-12-19(26)15-4-7-17(8-5-15)25(28)29/h4-9,11,14,19,26H,2-3,10,12-13H2,1H3,(H,23,27)