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

Systemtic Name: methyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-(2-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=CC=CS3

Isomeric SMILES

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

InChI

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