tert-butyl 5-chloranyl-2-[3-(4-imidazo[1,2-a]pyridin-3-yl-3-oxidanylidene-piperidin-1-yl)propylsulfonyl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-2-[3-(4-imidazo[1,2-a]pyridin-3-yl-3-oxidanylidene-piperidin-1-yl)propylsulfonyl]indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-2-[3-(4-imidazo[1,2-a]pyridin-3-yl-3-oxo-1-piperidyl)propylsulfonyl]indole-1-carboxylate CAS Name: 5-chloro-2-[3-[4-(3-imidazo[1,2-a]pyridinyl)-3-oxo-1-piperidinyl]propylsulfonyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[3-(4-imidazo[1,2-a]pyridin-3-yl-3-oxopiperidin-1-yl)propylsulfonyl]indole-1-carboxylate Traditional Name: 5-chloro-2-[3-(4-imidazo[1,2-a]pyridin-3-yl-3-keto-piperidino)propylsulfonyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H31ClN4O5S MolecularWeight: 571.08754

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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)CCCN3CCC(C(=O)C3)C4=CN=C5N4C=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCCN3CCC(C(=O)C3)C4=CN=C5N4C=CC=C5

InChI

InChI=1S/C28H31ClN4O5S/c1-28(2,3)38-27(35)33-22-9-8-20(29)15-19(22)16-26(33)39(36,37)14-6-11-31-13-10-21(24(34)18-31)23-17-30-25-7-4-5-12-32(23)25/h4-5,7-9,12,15-17,21H,6,10-11,13-14,18H2,1-3H3