4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methyl-3-nitro-phenyl)benzamide Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(2-methyl-3-nitro-phenyl)benzamide CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(2-methyl-3-nitrophenyl)benzamide IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methyl-3-nitrophenyl)benzamide Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-N-(2-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=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

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