5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[4-(2-ethylpiperidino)sulfonylphenyl]-2-nitro-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5S/c1-2-16-5-3-4-12-23(16)30(28,29)17-9-7-15(8-10-17)22-20(25)18-13-14(21)6-11-19(18)24(26)27/h6-11,13,16H,2-5,12H2,1H3,(H,22,25)