methyl (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonyl-amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonyl-amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[2-cyclopropylideneethyl(p-tolylsulfonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[2-cyclopropylideneethyl(tosyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C2CC2)C(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C2CC2)[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C24H26N2O4S/c1-17-7-11-20(12-8-17)31(28,29)26(14-13-18-9-10-18)23(24(27)30-2)15-19-16-25-22-6-4-3-5-21(19)22/h3-8,11-13,16,23,25H,9-10,14-15H2,1-2H3/t23-/m0/s1