N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-4-(methylsulfonylamino)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-4-(methylsulfonylamino)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-(methanesulfonamido)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-chloro-4-(methanesulfonamido)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-(methanesulfonamido)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-(methanesulfonamido)benzamide Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H24ClN3O5S2/c1-30(26,27)23-19-11-6-15(14-18(19)21)20(25)22-16-7-9-17(10-8-16)31(28,29)24-12-4-2-3-5-13-24/h6-11,14,23H,2-5,12-13H2,1H3,(H,22,25)