3-(1H-indol-3-yl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C)C)OC

InChI

InChI=1S/C21H24N2O5S/c1-12-9-19(28-4)13(2)14(3)20(12)29(26,27)23-18(21(24)25)10-15-11-22-17-8-6-5-7-16(15)17/h5-9,11,18,22-23H,10H2,1-4H3,(H,24,25)