N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: methyl-[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-veratryl-amine Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O6S/c1-16-6-5-11-24(14-16)32(28,29)18-8-9-19(20(13-18)25(26)27)23(2)15-17-7-10-21(30-3)22(12-17)31-4/h7-10,12-13,16H,5-6,11,14-15H2,1-4H3/t16-/m1/s1