methyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-(3-thenyl)ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CSC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-15(21(2)13-16-9-12-26-14-16)19(23)20-17-5-7-18(8-6-17)27(24,25)22-10-3-4-11-22/h5-9,12,14-15H,3-4,10-11,13H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1