N-[3-(butanoylamino)-5-ethylsulfonyl-2-oxidanyl-phenyl]-5-chloranyl-1H-indole-2-carboxamide

Systemtic Name: N-[3-(butanoylamino)-5-ethylsulfonyl-2-oxidanyl-phenyl]-5-chloranyl-1H-indole-2-carboxamide Openeye Name: N-[3-(butanoylamino)-5-ethylsulfonyl-2-hydroxy-phenyl]-5-chloro-1H-indole-2-carboxamide CAS Name: 5-chloro-N-[5-ethylsulfonyl-2-hydroxy-3-(1-oxobutylamino)phenyl]-1H-indole-2-carboxamide IUPAC Name: N-[3-(butanoylamino)-5-ethylsulfonyl-2-hydroxyphenyl]-5-chloro-1H-indole-2-carboxamide Traditional Name: N-(3-butyramido-5-esyl-2-hydroxy-phenyl)-5-chloro-1H-indole-2-carboxamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=CC(=C1)S(=O)(=O)CC)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O

Isomeric SMILES

CCCC(=O)NC1=C(C(=CC(=C1)S(=O)(=O)CC)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O

InChI

InChI=1S/C21H22ClN3O5S/c1-3-5-19(26)24-16-10-14(31(29,30)4-2)11-17(20(16)27)25-21(28)18-9-12-8-13(22)6-7-15(12)23-18/h6-11,23,27H,3-5H2,1-2H3,(H,24,26)(H,25,28)