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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[2-ethoxy-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(2-ethoxy-N-tosyl-anilino)acetamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O4S/c1-3-33-25-12-7-6-11-24(25)29(34(31,32)23-15-13-22(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)