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

Systemtic Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-28(2)20-11-7-17(8-12-20)18-9-13-21(14-10-18)33(31,32)27-24(25(29)30)15-19-16-26-23-6-4-3-5-22(19)23/h3-14,16,24,26-27H,15H2,1-2H3,(H,29,30)