(phenylmethyl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid benzyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-18-11-13-21(14-12-18)32(29,30)27-24(25(28)31-17-19-7-3-2-4-8-19)15-20-16-26-23-10-6-5-9-22(20)23/h2-14,16,24,26-27H,15,17H2,1H3