N-(2-methyl-5-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-13-7-8-15(21(23)24)12-17(13)19-18(22)14-5-4-6-16(11-14)27(25,26)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)