N-(4-methylphenyl)-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-(4-methylphenyl)-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 4-nitro-N-(p-tolyl)-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(4-methylphenyl)-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(4-methylphenyl)-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: (4-nitro-2-pyrrolidinosulfonyl-phenyl)-(p-tolyl)amine Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-13-4-6-14(7-5-13)18-16-9-8-15(20(21)22)12-17(16)25(23,24)19-10-2-3-11-19/h4-9,12,18H,2-3,10-11H2,1H3