dimethyl-[2-[[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[[(3R)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[[(3R)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[[(3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[[(3R)-1-tosylnipecotoyl]amino]thiocarbamoylamino]ethyl]ammonium Formula: C18H30N5O3S2+ MolecularWeight: 428.5925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NNC(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C18H29N5O3S2/c1-14-6-8-16(9-7-14)28(25,26)23-11-4-5-15(13-23)17(24)20-21-18(27)19-10-12-22(2)3/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,24)(H2,19,21,27)/p+1/t15-/m1/s1