N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-mesyl-2-methyl-benzamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-16-10-11-18(29(2,25)26)15-20(16)21(24)22-17-8-7-9-19(14-17)30(27,28)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)