tert-butyl 2-[7-(4-chlorophenyl)sulfanyl-4-oxidanyl-1-(phenylsulfonyl)-6,7-dihydro-5H-indol-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-(4-chlorophenyl)sulfanyl-4-oxidanyl-1-(phenylsulfonyl)-6,7-dihydro-5H-indol-4-yl]ethanoate Openeye Name: tert-butyl 2-[1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-hydroxy-6,7-dihydro-5H-indol-4-yl]acetate CAS Name: 2-[1-(benzenesulfonyl)-7-[(4-chlorophenyl)thio]-4-hydroxy-6,7-dihydro-5H-indol-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-hydroxy-6,7-dihydro-5H-indol-4-yl]acetate Traditional Name: 2-[1-besyl-7-[(4-chlorophenyl)thio]-4-hydroxy-6,7-dihydro-5H-indol-4-yl]acetic acid tert-butyl ester Formula: C26H28ClNO5S2 MolecularWeight: 534.08722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(CCC(C2=C1C=CN2S(=O)(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)CC1(CCC(C2=C1C=CN2S(=O)(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H28ClNO5S2/c1-25(2,3)33-23(29)17-26(30)15-13-22(34-19-11-9-18(27)10-12-19)24-21(26)14-16-28(24)35(31,32)20-7-5-4-6-8-20/h4-12,14,16,22,30H,13,15,17H2,1-3H3