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

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(5-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-2-(5-methyl-2-nitro-phenoxy)acetamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-2-(5-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(5-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-2-(5-methyl-2-nitro-phenoxy)acetamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=CC(=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=CC(=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N3O6S/c1-15-4-9-20(25(27)28)21(11-15)31-14-22(26)23-18-5-7-19(8-6-18)32(29,30)24-12-16(2)10-17(3)13-24/h4-9,11,16-17H,10,12-14H2,1-3H3,(H,23,26)