3-[(3S)-3-methyl-3-oxidanyl-1,2-dihydroindol-2-yl]-5-(4-oxidanylpiperidin-1-yl)sulfonyl-indol-2-one

Systemtic Name: 3-[(3S)-3-methyl-3-oxidanyl-1,2-dihydroindol-2-yl]-5-(4-oxidanylpiperidin-1-yl)sulfonyl-indol-2-one Openeye Name: 3-[(3S)-3-hydroxy-3-methyl-indolin-2-yl]-5-[(4-hydroxy-1-piperidyl)sulfonyl]indol-2-one CAS Name: 3-[(3S)-3-hydroxy-3-methyl-1,2-dihydroindol-2-yl]-5-[(4-hydroxy-1-piperidinyl)sulfonyl]-2-indolone IUPAC Name: 3-[(3S)-3-hydroxy-3-methyl-1,2-dihydroindol-2-yl]-5-(4-hydroxypiperidin-1-yl)sulfonylindol-2-one Traditional Name: 3-[(3S)-3-hydroxy-3-methyl-indolin-2-yl]-5-(4-hydroxypiperidino)sulfonyl-indol-2-one Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC2=CC=CC=C21)C3=C4C=C(C=CC4=NC3=O)S(=O)(=O)N5CCC(CC5)O)O

Isomeric SMILES

C[C@]1(C(NC2=CC=CC=C21)C3=C4C=C(C=CC4=NC3=O)S(=O)(=O)N5CCC(CC5)O)O

InChI

InChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,20,23,26,28H,8-11H2,1H3/t20?,22-/m0/s1