2-methoxy-5-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline

Systemtic Name: 2-methoxy-5-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 2-methoxy-5-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline CAS Name: 2-methoxy-5-methyl-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]aniline IUPAC Name: 2-methoxy-5-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)aniline Traditional Name: (2-methoxy-5-methyl-phenyl)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-13-5-8-18(26-2)16(11-13)19-15-7-6-14(12-17(15)21(22)23)27(24,25)20-9-3-4-10-20/h5-8,11-12,19H,3-4,9-10H2,1-2H3