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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(mesylmethyl)benzamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-17-7-12-20(15-21(17)31(28,29)24-13-5-3-4-6-14-24)23-22(25)19-10-8-18(9-11-19)16-30(2,26)27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)