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

Systemtic Name: 2-chloranyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-5-nitro-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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