dimethyl-[2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl]azanium Openeye Name: 2-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C15H25N4O3S2+ MolecularWeight: 373.514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O

InChI

InChI=1S/C15H24N4O3S2/c1-18(2)10-7-16-15(23)17-13-11-12(5-6-14(13)20)24(21,22)19-8-3-4-9-19/h5-6,11,20H,3-4,7-10H2,1-2H3,(H2,16,17,23)/p+1