1-(4-methyl-3-nitro-phenyl)sulfonyl-2-(phenylmethyl)pyrrolidine

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-2-(phenylmethyl)pyrrolidine Openeye Name: 2-benzyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine CAS Name: 1-(4-methyl-3-nitrophenyl)sulfonyl-2-(phenylmethyl)pyrrolidine IUPAC Name: 2-benzyl-1-(4-methyl-3-nitrophenyl)sulfonylpyrrolidine Traditional Name: 2-benzyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-14-9-10-17(13-18(14)20(21)22)25(23,24)19-11-5-8-16(19)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,16H,5,8,11-12H2,1H3