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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-4-morpholinosulfonyl-anilino)acetamide Formula: C22H36N4O6S2 MolecularWeight: 516.67444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H36N4O6S2/c1-33(28,29)26(19-22(27)23-11-6-14-24-12-4-2-3-5-13-24)20-7-9-21(10-8-20)34(30,31)25-15-17-32-18-16-25/h7-10H,2-6,11-19H2,1H3,(H,23,27)