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

Systemtic Name: 3,4-dimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 3,4-dimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline CAS Name: 3,4-dimethoxy-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]aniline IUPAC Name: 3,4-dimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)aniline Traditional Name: (3,4-dimethoxyphenyl)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H21N3O6S MolecularWeight: 407.44084

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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)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O6S/c1-26-17-8-5-13(11-18(17)27-2)19-15-7-6-14(12-16(15)21(22)23)28(24,25)20-9-3-4-10-20/h5-8,11-12,19H,3-4,9-10H2,1-2H3