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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-thienylmethyl)ammonium CAS Name: [(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-(2-thenyl)ammonium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH2+]CC3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH2+]CC3=CC=CS3

InChI

InChI=1S/C18H23N3O3S2/c1-14(19-13-16-5-4-12-25-16)18(22)20-15-6-8-17(9-7-15)26(23,24)21-10-2-3-11-21/h4-9,12,14,19H,2-3,10-11,13H2,1H3,(H,20,22)/p+1/t14-/m0/s1