propan-2-yl 3-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-1-(phenylsulfonyl)indole-5-carboxylate

Systemtic Name: propan-2-yl 3-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-1-(phenylsulfonyl)indole-5-carboxylate Openeye Name: isopropyl 1-(benzenesulfonyl)-3-[(E)-1-hydroxy-3-oxo-but-1-enyl]indole-5-carboxylate CAS Name: 1-(benzenesulfonyl)-3-[(E)-1-hydroxy-3-oxobut-1-enyl]-5-indolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(benzenesulfonyl)-3-[(E)-1-hydroxy-3-oxobut-1-enyl]indole-5-carboxylate Traditional Name: 1-besyl-3-[(E)-1-hydroxy-3-keto-but-1-enyl]indole-5-carboxylic acid isopropyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N(C=C2C(=CC(=O)C)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N(C=C2/C(=C\C(=O)C)/O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-14(2)29-22(26)16-9-10-20-18(12-16)19(21(25)11-15(3)24)13-23(20)30(27,28)17-7-5-4-6-8-17/h4-14,25H,1-3H3/b21-11+