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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(3,5-dimethoxyphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(3,5-dimethoxyphenyl)-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(3,5-dimethoxyphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (3,5-dimethoxyphenyl)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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