N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfonyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-methylsulfonylbenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-mesyl-benzamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5S2/c1-16-11-12-17(15-20(16)30(27,28)23-13-7-3-4-8-14-23)22-21(24)18-9-5-6-10-19(18)29(2,25)26/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)