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

Systemtic Name: tert-butyl 5-chloranyl-2-[3-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-3-oxidanylidene-propyl]sulfonyl-indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-2-[3-[4-(3-methyl-2-methylimino-thiazol-5-yl)-1-piperidyl]-3-oxo-propyl]sulfonyl-indole-1-carboxylate CAS Name: 5-chloro-2-[3-[4-(3-methyl-2-methylimino-5-thiazolyl)-1-piperidinyl]-3-oxopropyl]sulfonyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[3-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-3-oxopropyl]sulfonylindole-1-carboxylate Traditional Name: 5-chloro-2-[3-keto-3-[4-(3-methyl-2-methylimino-4-thiazolin-5-yl)piperidino]propyl]sulfonyl-indole-1-carboxylic acid tert-butyl ester Formula: C26H33ClN4O5S2 MolecularWeight: 581.14702

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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)C4=CN(C(=NC)S4)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCC(=O)N3CCC(CC3)C4=CN(C(=NC)S4)C

InChI

InChI=1S/C26H33ClN4O5S2/c1-26(2,3)36-25(33)31-20-7-6-19(27)14-18(20)15-23(31)38(34,35)13-10-22(32)30-11-8-17(9-12-30)21-16-29(5)24(28-4)37-21/h6-7,14-17H,8-13H2,1-5H3