4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methyl-3-nitro-phenyl)benzamide Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(4-methyl-3-nitro-phenyl)benzamide CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(4-methyl-3-nitrophenyl)benzamide IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methyl-3-nitrophenyl)benzamide Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S/c1-14-10-15(2)13-23(12-14)30(28,29)19-8-5-17(6-9-19)21(25)22-18-7-4-16(3)20(11-18)24(26)27/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,22,25)/t14-,15-/m0/s1