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

Systemtic Name: [(2S)-3-methyl-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[(1-methylsulfonylindolin-5-yl)carbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(1-mesylindolin-5-yl)carbamoyl]-2-methyl-propyl]ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-9(2)13(15)14(18)16-11-4-5-12-10(8-11)6-7-17(12)21(3,19)20/h4-5,8-9,13H,6-7,15H2,1-3H3,(H,16,18)/p+1/t13-/m0/s1