methyl 1-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H29N3O5S/c1-15(22-13-9-16(10-14-22)20(25)28-2)19(24)21-17-5-7-18(8-6-17)29(26,27)23-11-3-4-12-23/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,21,24)/p+1/t15-/m1/s1