[(2S)-butan-2-yl]-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC[C@H](C)[NH2+][C@@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H27N3O3S/c1-4-13(2)18-14(3)17(21)19-15-7-9-16(10-8-15)24(22,23)20-11-5-6-12-20/h7-10,13-14,18H,4-6,11-12H2,1-3H3,(H,19,21)/p+1/t13-,14-/m0/s1