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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[2-methoxy-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(2-methoxy-N-tosyl-anilino)acetamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=CC=C3OC

InChI

InChI=1S/C25H35N3O4S/c1-21-12-14-22(15-13-21)33(30,31)28(23-10-5-6-11-24(23)32-2)20-25(29)26-16-9-19-27-17-7-3-4-8-18-27/h5-6,10-15H,3-4,7-9,16-20H2,1-2H3,(H,26,29)