N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(3-chloro-N-mesyl-anilino)methyl]benzamide Formula: C27H30ClN3O5S2 MolecularWeight: 576.1272

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)N3CCCCCC3)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)N3CCCCCC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H30ClN3O5S2/c1-37(33,34)31(25-8-6-7-23(28)19-25)20-21-9-11-22(12-10-21)27(32)29-24-13-15-26(16-14-24)38(35,36)30-17-4-2-3-5-18-30/h6-16,19H,2-5,17-18,20H2,1H3,(H,29,32)