N-[3-(azepan-1-yl)propyl]-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C26H37N3O4S2 MolecularWeight: 519.71968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H37N3O4S2/c1-3-33-25-12-7-6-11-24(25)29(35(31,32)23-15-13-22(34-2)14-16-23)21-26(30)27-17-10-20-28-18-8-4-5-9-19-28/h6-7,11-16H,3-5,8-10,17-21H2,1-2H3,(H,27,30)