N-[3-(azepan-1-yl)propyl]-2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[2-methoxy-5-methyl-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(2-methoxy-5-methyl-N-tosyl-anilino)acetamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C26H37N3O4S/c1-21-9-12-23(13-10-21)34(31,32)29(24-19-22(2)11-14-25(24)33-3)20-26(30)27-15-8-18-28-16-6-4-5-7-17-28/h9-14,19H,4-8,15-18,20H2,1-3H3,(H,27,30)