tert-butyl 5-chloranyl-3-[[ethanoyl(methyl)amino]methyl]-2-(3-oxidanylidene-3-prop-2-enoxy-propyl)sulfonyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-3-[[ethanoyl(methyl)amino]methyl]-2-(3-oxidanylidene-3-prop-2-enoxy-propyl)sulfonyl-indole-1-carboxylate Openeye Name: tert-butyl 3-[[acetyl(methyl)amino]methyl]-2-(3-allyloxy-3-oxo-propyl)sulfonyl-5-chloro-indole-1-carboxylate CAS Name: 3-[[acetyl(methyl)amino]methyl]-5-chloro-2-(3-oxo-3-prop-2-enoxypropyl)sulfonyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[acetyl(methyl)amino]methyl]-5-chloro-2-(3-oxo-3-prop-2-enoxypropyl)sulfonylindole-1-carboxylate Traditional Name: 3-[[acetyl(methyl)amino]methyl]-2-(3-allyloxy-3-keto-propyl)sulfonyl-5-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C23H29ClN2O7S MolecularWeight: 513.00356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)CC1=C(N(C2=C1C=C(C=C2)Cl)C(=O)OC(C)(C)C)S(=O)(=O)CCC(=O)OCC=C

Isomeric SMILES

CC(=O)N(C)CC1=C(N(C2=C1C=C(C=C2)Cl)C(=O)OC(C)(C)C)S(=O)(=O)CCC(=O)OCC=C

InChI

InChI=1S/C23H29ClN2O7S/c1-7-11-32-20(28)10-12-34(30,31)21-18(14-25(6)15(2)27)17-13-16(24)8-9-19(17)26(21)22(29)33-23(3,4)5/h7-9,13H,1,10-12,14H2,2-6H3