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

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

Isomeric SMILES

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

InChI

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