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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-4-(methylsulfonylamino)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(methanesulfonamido)-3-methyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(methanesulfonamido)-3-methyl-benzamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O5S2/c1-16-15-17(7-12-20(16)23-30(2,26)27)21(25)22-18-8-10-19(11-9-18)31(28,29)24-13-5-3-4-6-14-24/h7-12,15,23H,3-6,13-14H2,1-2H3,(H,22,25)