(2S)-5-[[1-[4-(aminomethyl)phenyl]sulfonyl-6-tert-butyl-2,3-dihydroindol-5-yl]sulfanyl]-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: (2S)-5-[[1-[4-(aminomethyl)phenyl]sulfonyl-6-tert-butyl-2,3-dihydroindol-5-yl]sulfanyl]-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: (2S)-5-[1-[4-(aminomethyl)phenyl]sulfonyl-6-tert-butyl-indolin-5-yl]sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: (2S)-5-[[1-[4-(aminomethyl)phenyl]sulfonyl-6-tert-butyl-2,3-dihydroindol-5-yl]thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: (2S)-5-[[1-[4-(aminomethyl)phenyl]sulfonyl-6-tert-butyl-2,3-dihydroindol-5-yl]sulfanyl]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: (2S)-5-[[1-[4-(aminomethyl)phenyl]sulfonyl-6-tert-butyl-indolin-5-yl]thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-3H-pyran-4-one Formula: C35H42N2O6S2 MolecularWeight: 650.84778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)CCN3S(=O)(=O)C4=CC=C(C=C4)CN)C(C)(C)C)CCC5=CC=C(C=C5)O

Isomeric SMILES

CC(C)[C@@]1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)CCN3S(=O)(=O)C4=CC=C(C=C4)CN)C(C)(C)C)CCC5=CC=C(C=C5)O

InChI

InChI=1S/C35H42N2O6S2/c1-22(2)35(16-14-23-6-10-26(38)11-7-23)20-30(39)32(33(40)43-35)44-31-18-25-15-17-37(29(25)19-28(31)34(3,4)5)45(41,42)27-12-8-24(21-36)9-13-27/h6-13,18-19,22,38,40H,14-17,20-21,36H2,1-5H3/t35-/m0/s1