ethyl 2-(hexanoylamino)-3-[1-(2-nitrophenyl)sulfonylindol-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-(hexanoylamino)-3-[1-(2-nitrophenyl)sulfonylindol-3-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-(hexanoylamino)-3-[1-(2-nitrophenyl)sulfonylindol-3-yl]-3-oxo-propanoate CAS Name: 3-[1-(2-nitrophenyl)sulfonyl-3-indolyl]-3-oxo-2-(1-oxohexylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(hexanoylamino)-3-[1-(2-nitrophenyl)sulfonylindol-3-yl]-3-oxopropanoate Traditional Name: 2-(caproylamino)-3-keto-3-[1-(2-nitrophenyl)sulfonylindol-3-yl]propionic acid ethyl ester Formula: C25H27N3O8S MolecularWeight: 529.56218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC(C(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C25H27N3O8S/c1-3-5-6-15-22(29)26-23(25(31)36-4-2)24(30)18-16-27(19-12-8-7-11-17(18)19)37(34,35)21-14-10-9-13-20(21)28(32)33/h7-14,16,23H,3-6,15H2,1-2H3,(H,26,29)