methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Openeye Name: methyl (2S)-2-(p-tolylsulfonylamino)-3-[1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: (2S)-2-(tosylamino)-3-(1-tosylindol-3-yl)propionic acid methyl ester Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC

InChI

InChI=1S/C26H26N2O6S2/c1-18-8-12-21(13-9-18)35(30,31)27-24(26(29)34-3)16-20-17-28(25-7-5-4-6-23(20)25)36(32,33)22-14-10-19(2)11-15-22/h4-15,17,24,27H,16H2,1-3H3/t24-/m0/s1