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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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