4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(3-chloro-N-methylsulfonyl-anilino)methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(3-chloro-N-mesyl-anilino)methyl]-N-(3-pyridylmethyl)benzamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-29(27,28)25(20-6-2-5-19(22)12-20)15-16-7-9-18(10-8-16)21(26)24-14-17-4-3-11-23-13-17/h2-13H,14-15H2,1H3,(H,24,26)