N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-benzyloxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-benzoxy-N-mesyl-anilino)acetamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O4S/c1-33(30,31)28(20-25(29)26-16-9-19-27-17-7-2-3-8-18-27)23-12-14-24(15-13-23)32-21-22-10-5-4-6-11-22/h4-6,10-15H,2-3,7-9,16-21H2,1H3,(H,26,29)