methyl 4-imidazol-1-yl-2-(1H-indol-3-ylmethyl)-2-[2-phenylethynyl(phenylsulfonyl)amino]butanoate

Systemtic Name: methyl 4-imidazol-1-yl-2-(1H-indol-3-ylmethyl)-2-[2-phenylethynyl(phenylsulfonyl)amino]butanoate Openeye Name: methyl 2-[benzenesulfonyl(2-phenylethynyl)amino]-4-imidazol-1-yl-2-(1H-indol-3-ylmethyl)butanoate CAS Name: 2-[benzenesulfonyl(2-phenylethynyl)amino]-4-(1-imidazolyl)-2-(1H-indol-3-ylmethyl)butanoic acid methyl ester IUPAC Name: methyl 2-[benzenesulfonyl(2-phenylethynyl)amino]-4-imidazol-1-yl-2-(1H-indol-3-ylmethyl)butanoate Traditional Name: 2-[besyl(2-phenylethynyl)amino]-4-imidazol-1-yl-2-(1H-indol-3-ylmethyl)butyric acid methyl ester Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C=CN=C1)(CC2=CNC3=CC=CC=C32)N(C#CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C(CCN1C=CN=C1)(CC2=CNC3=CC=CC=C32)N(C#CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4O4S/c1-39-30(36)31(17-20-34-21-18-32-24-34,22-26-23-33-29-15-9-8-14-28(26)29)35(19-16-25-10-4-2-5-11-25)40(37,38)27-12-6-3-7-13-27/h2-15,18,21,23-24,33H,17,20,22H2,1H3