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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: methyl-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-o-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=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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