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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: homoveratryl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O6S/c1-28-19-8-5-15(13-20(19)29-2)9-10-21-17-7-6-16(14-18(17)23(24)25)30(26,27)22-11-3-4-12-22/h5-8,13-14,21H,3-4,9-12H2,1-2H3