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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-phenoxy-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-4-phenoxy-anilino)acetamide Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4S/c1-32(29,30)27(20-24(28)25-16-9-19-26-17-7-2-3-8-18-26)21-12-14-23(15-13-21)31-22-10-5-4-6-11-22/h4-6,10-15H,2-3,7-9,16-20H2,1H3,(H,25,28)