methyl 5-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C17H26N3O5S2+ MolecularWeight: 416.53544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C17H25N3O5S2/c1-12(13-3-4-13)18-15(21)10-19-5-7-20(8-6-19)27(23,24)16-9-14(11-26-16)17(22)25-2/h9,11-13H,3-8,10H2,1-2H3,(H,18,21)/p+1/t12-/m1/s1