methyl 5-[4-[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]-1-piperazin-4-iumyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H32N3O5S2+ MolecularWeight: 458.61518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C20H31N3O5S2/c1-15(19(24)21-17-7-5-3-4-6-8-17)22-9-11-23(12-10-22)30(26,27)18-13-16(14-29-18)20(25)28-2/h13-15,17H,3-12H2,1-2H3,(H,21,24)/p+1/t15-/m1/s1