5-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-(ethylthio)phenyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(ethylthio)phenyl]-2-methoxy-benzamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H28N2O4S2/c1-3-29-21-11-7-6-10-19(21)23-22(25)18-16-17(12-13-20(18)28-2)30(26,27)24-14-8-4-5-9-15-24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,23,25)