N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-morpholinosulfonylphenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-[4-(4-morpholinylsulfonyl)phenyl]methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-morpholinosulfonylphenyl)methanesulfonamide Formula: C19H29N3O6S2 MolecularWeight: 459.58006

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H29N3O6S2/c1-29(24,25)22(16-19(23)20-10-4-2-3-5-11-20)17-6-8-18(9-7-17)30(26,27)21-12-14-28-15-13-21/h6-9H,2-5,10-16H2,1H3