4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[(3-chloro-N-methylsulfonyl-anilino)methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(3-chloro-N-mesyl-anilino)methyl]-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C25H26ClN3O5S2 MolecularWeight: 548.07404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O5S2/c1-35(31,32)29(23-6-4-5-21(26)17-23)18-19-7-9-20(10-8-19)25(30)27-22-11-13-24(14-12-22)36(33,34)28-15-2-3-16-28/h4-14,17H,2-3,15-16,18H2,1H3,(H,27,30)