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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-veratryl-amine Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H23N3O6S/c1-27-18-8-5-14(11-19(18)28-2)13-20-16-7-6-15(12-17(16)22(23)24)29(25,26)21-9-3-4-10-21/h5-8,11-12,20H,3-4,9-10,13H2,1-2H3