(1R)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)ethane-1,2-diamine

Systemtic Name: (1R)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)ethane-1,2-diamine Openeye Name: (1R)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)ethane-1,2-diamine CAS Name: (1R)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]ethane-1,2-diamine IUPAC Name: (1R)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)ethane-1,2-diamine Traditional Name: [(1R)-1-(4-methoxyphenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-anilino)ethyl]-dimethyl-amine Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N4O5S/c1-23(2)21(16-6-8-17(30-3)9-7-16)15-22-19-11-10-18(14-20(19)25(26)27)31(28,29)24-12-4-5-13-24/h6-11,14,21-22H,4-5,12-13,15H2,1-3H3/t21-/m0/s1