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

Systemtic Name: 4,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[4-(3-methylpiperidino)sulfonylphenyl]-2-nitro-benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H25N3O7S/c1-14-5-4-10-23(13-14)32(28,29)16-8-6-15(7-9-16)22-21(25)17-11-19(30-2)20(31-3)12-18(17)24(26)27/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,22,25)