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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: methyl-(2-nitro-4-piperidinosulfonyl-phenyl)-veratryl-amine Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-22(15-16-7-10-20(29-2)21(13-16)30-3)18-9-8-17(14-19(18)24(25)26)31(27,28)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12,15H2,1-3H3