3,4-dimethoxy-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline

Systemtic Name: 3,4-dimethoxy-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 3,4-dimethoxy-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]aniline CAS Name: 3,4-dimethoxy-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]aniline IUPAC Name: 3,4-dimethoxy-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)aniline Traditional Name: (3,4-dimethoxyphenyl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H23N3O6S/c1-27-18-9-6-14(12-19(18)28-2)20-16-8-7-15(13-17(16)22(23)24)29(25,26)21-10-4-3-5-11-21/h6-9,12-13,20H,3-5,10-11H2,1-2H3