tert-butyl 5-chloranyl-2-[3-oxidanylidene-3-[4-(1,3-thiazol-2-ylamino)piperidin-1-yl]propyl]sulfonyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-2-[3-oxidanylidene-3-[4-(1,3-thiazol-2-ylamino)piperidin-1-yl]propyl]sulfonyl-indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-2-[3-oxo-3-[4-(thiazol-2-ylamino)-1-piperidyl]propyl]sulfonyl-indole-1-carboxylate CAS Name: 5-chloro-2-[3-oxo-3-[4-(2-thiazolylamino)-1-piperidinyl]propyl]sulfonyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[3-oxo-3-[4-(1,3-thiazol-2-ylamino)piperidin-1-yl]propyl]sulfonylindole-1-carboxylate Traditional Name: 5-chloro-2-[3-keto-3-[4-(thiazol-2-ylamino)piperidino]propyl]sulfonyl-indole-1-carboxylic acid tert-butyl ester Formula: C24H29ClN4O5S2 MolecularWeight: 553.09386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCC(=O)N3CCC(CC3)NC4=NC=CS4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCC(=O)N3CCC(CC3)NC4=NC=CS4

InChI

InChI=1S/C24H29ClN4O5S2/c1-24(2,3)34-23(31)29-19-5-4-17(25)14-16(19)15-21(29)36(32,33)13-8-20(30)28-10-6-18(7-11-28)27-22-26-9-12-35-22/h4-5,9,12,14-15,18H,6-8,10-11,13H2,1-3H3,(H,26,27)