4-azanyl-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-N-methyl-1-oxidanylidene-1,2-thiazole-5-sulfonamide

Systemtic Name: 4-azanyl-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-N-methyl-1-oxidanylidene-1,2-thiazole-5-sulfonamide Openeye Name: 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-N-methyl-1-oxo-isothiazole-5-sulfonamide CAS Name: 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-N-methyl-1-oxo-5-isothiazolesulfonamide IUPAC Name: 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-N-methyl-1-oxo-1,2-thiazole-5-sulfonamide Traditional Name: 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-1-keto-N-methyl-isothiazole-5-sulfonamide Formula: C16H25N5O4S2 MolecularWeight: 415.5308

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C(=NS1=O)NCCCOC2=CC=CC(=C2)CN(C)C)N

Isomeric SMILES

CNS(=O)(=O)C1=C(C(=NS1=O)NCCCOC2=CC=CC(=C2)CN(C)C)N

InChI

InChI=1S/C16H25N5O4S2/c1-18-27(23,24)16-14(17)15(20-26(16)22)19-8-5-9-25-13-7-4-6-12(10-13)11-21(2)3/h4,6-7,10,18H,5,8-9,11,17H2,1-3H3,(H,19,20)