2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)15-8-10-16(11-9-15)28(26,27)23-19(20(24)25)12-14-13-22-18-7-5-4-6-17(14)18/h4-11,13,19,22-23H,12H2,1-3H3,(H,24,25)