dimethyl-[3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl]azanium Openeye Name: 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H27N4O3S2+ MolecularWeight: 387.54058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3S2/c1-19(2)9-5-8-17-16(24)18-14-12-13(6-7-15(14)21)25(22,23)20-10-3-4-11-20/h6-7,12,21H,3-5,8-11H2,1-2H3,(H2,17,18,24)/p+1