ethyl 3-(hexanoylamino)-3-oxidanylidene-2-[1-(phenylsulfonyl)indol-3-yl]propanoate

Systemtic Name: ethyl 3-(hexanoylamino)-3-oxidanylidene-2-[1-(phenylsulfonyl)indol-3-yl]propanoate Openeye Name: ethyl 2-[1-(benzenesulfonyl)indol-3-yl]-3-(hexanoylamino)-3-oxo-propanoate CAS Name: 2-[1-(benzenesulfonyl)-3-indolyl]-3-oxo-3-(1-oxohexylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(benzenesulfonyl)indol-3-yl]-3-(hexanoylamino)-3-oxopropanoate Traditional Name: 2-(1-besylindol-3-yl)-3-(caproylamino)-3-keto-propionic acid ethyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=O)C(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC(=O)C(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O6S/c1-3-5-7-16-22(28)26-24(29)23(25(30)33-4-2)20-17-27(21-15-11-10-14-19(20)21)34(31,32)18-12-8-6-9-13-18/h6,8-15,17,23H,3-5,7,16H2,1-2H3,(H,26,28,29)