[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylfuran-3-carboxylate

Systemtic Name: [(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylfuran-3-carboxylate Openeye Name: [(1S)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [(2S)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [(1S)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=CO1)C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H23ClN2O6S/c1-13-16(8-11-28-13)20(25)29-14(2)19(24)22-18-12-15(6-7-17(18)21)30(26,27)23-9-4-3-5-10-23/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,24)/t14-/m0/s1