N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C29H35N3O6S3 MolecularWeight: 617.7997

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C29H35N3O6S3/c1-3-38-28-11-7-6-10-27(28)32(41(36,37)26-18-14-24(39-2)15-19-26)22-29(33)30-23-12-16-25(17-13-23)40(34,35)31-20-8-4-5-9-21-31/h6-7,10-19H,3-5,8-9,20-22H2,1-2H3,(H,30,33)