N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: homoveratryl-methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

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