2-chloranyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-5-nitro-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

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