4-chloranyl-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H22ClN3O5S/c1-13-4-3-5-14(2)23(13)30(28,29)17-9-7-16(8-10-17)22-20(25)15-6-11-18(21)19(12-15)24(26)27/h6-14H,3-5H2,1-2H3,(H,22,25)/t13-,14-/m0/s1