[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C18H17ClN2O5S/c1-27(24,25)21-7-6-11-8-12(3-5-16(11)21)17(22)10-26-18(23)13-2-4-14(19)15(20)9-13/h2-5,8-9H,6-7,10,20H2,1H3