3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-oxo-ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-keto-ethyl]propionamide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CN(C)C(=O)CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H29N3O4S/c1-21(2)19(24)15-20-18(23)12-9-16-7-10-17(11-8-16)27(25,26)22-13-5-3-4-6-14-22/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H,20,23)