3,4,5-trimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline

Systemtic Name: 3,4,5-trimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 3,4,5-trimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline CAS Name: 3,4,5-trimethoxy-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]aniline IUPAC Name: 3,4,5-trimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)aniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-(3,4,5-trimethoxyphenyl)amine Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O7S/c1-27-17-10-13(11-18(28-2)19(17)29-3)20-15-7-6-14(12-16(15)22(23)24)30(25,26)21-8-4-5-9-21/h6-7,10-12,20H,4-5,8-9H2,1-3H3