[2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H27N3O6S/c1-3-20-18(24)14(2)21-17(23)13-28-19(25)15-7-9-16(10-8-15)29(26,27)22-11-5-4-6-12-22/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,24)(H,21,23)/t14-/m0/s1