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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-veratryl-amine Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O6S/c1-28-19-9-6-15(12-20(19)29-2)14-21-17-8-7-16(13-18(17)23(24)25)30(26,27)22-10-4-3-5-11-22/h6-9,12-13,21H,3-5,10-11,14H2,1-2H3