2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5S/c1-23(13-15-12-17(25(27)28)6-9-19(15)21)14-20(26)22-16-4-7-18(8-5-16)31(29,30)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,26)