N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonylpiperidin-3-yl)amino]-5-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonylpiperidin-3-yl)amino]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonyl-3-piperidyl)amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonyl-3-piperidinyl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonylpiperidin-3-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(1-mesyl-3-piperidyl)amino]-5-nitro-N-veratryl-benzamide Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCN(C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCN(C3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H28N4O7S/c1-32-20-9-6-15(11-21(20)33-2)13-23-22(27)18-12-17(26(28)29)7-8-19(18)24-16-5-4-10-25(14-16)34(3,30)31/h6-9,11-12,16,24H,4-5,10,13-14H2,1-3H3,(H,23,27)