3-(1H-indol-3-yl)-2-[[4-[(4-methylphenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-[(4-methylphenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-(p-toluoylamino)phenyl]sulfonylamino]propionic acid Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C25H23N3O5S/c1-16-6-8-17(9-7-16)24(29)27-19-10-12-20(13-11-19)34(32,33)28-23(25(30)31)14-18-15-26-22-5-3-2-4-21(18)22/h2-13,15,23,26,28H,14H2,1H3,(H,27,29)(H,30,31)