4-chloranyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-3-nitro-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H22ClN3O5S/c1-13-9-14(2)12-23(11-13)30(28,29)17-6-4-16(5-7-17)22-20(25)15-3-8-18(21)19(10-15)24(26)27/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,22,25)