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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O6S/c1-16-9-11-24(12-10-16)32(28,29)18-6-7-19(20(14-18)25(26)27)23(2)15-17-5-8-21(30-3)22(13-17)31-4/h5-8,13-14,16H,9-12,15H2,1-4H3