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

Systemtic Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(2-methoxy-5-methyl-phenyl)ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15-5-8-20(28-2)16(13-15)9-10-21-18-7-6-17(14-19(18)23(24)25)29(26,27)22-11-3-4-12-22/h5-8,13-14,21H,3-4,9-12H2,1-2H3