[(2S)-4-methylsulfanyl-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[(1-methylsulfonylindolin-5-yl)carbamoyl]propyl]ammonium CAS Name: [(2S)-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(1-mesylindolin-5-yl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C14H22N3O3S2+ MolecularWeight: 344.47278

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)N(CC2)S(=O)(=O)C)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC2=C(C=C1)N(CC2)S(=O)(=O)C)[NH3+]

InChI

InChI=1S/C14H21N3O3S2/c1-21-8-6-12(15)14(18)16-11-3-4-13-10(9-11)5-7-17(13)22(2,19)20/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18)/p+1/t12-/m0/s1