2-(anthracen-2-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(anthracen-2-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(2-anthrylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-(2-anthracenylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(anthracen-2-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(2-anthrylsulfonylamino)-3-(1H-indol-3-yl)propionic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)S(=O)(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)S(=O)(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H20N2O4S/c28-25(29)24(14-20-15-26-23-8-4-3-7-22(20)23)27-32(30,31)21-10-9-18-11-16-5-1-2-6-17(16)12-19(18)13-21/h1-13,15,24,26-27H,14H2,(H,28,29)