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

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)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-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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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)N2CCCC2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H25N3O6S/c1-3-19-17(23)13(2)20-16(22)12-27-18(24)14-6-8-15(9-7-14)28(25,26)21-10-4-5-11-21/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,23)(H,20,22)/t13-/m0/s1