N-(3-methylsulfanylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-(3-methylsulfanylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(3-methylsulfanylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[3-(methylthio)phenyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(3-methylsulfanylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [3-(methylthio)phenyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C17H19N3O4S2 MolecularWeight: 393.48046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S2/c1-25-14-6-4-5-13(11-14)18-16-8-7-15(12-17(16)20(21)22)26(23,24)19-9-2-3-10-19/h4-8,11-12,18H,2-3,9-10H2,1H3