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

Systemtic Name: 3-[2-[(4-methylphenyl)sulfonylamino]indol-1-yl]propanoic acid Openeye Name: 3-[2-(p-tolylsulfonylamino)indol-1-yl]propanoic acid CAS Name: 3-[2-[(4-methylphenyl)sulfonylamino]-1-indolyl]propanoic acid IUPAC Name: 3-[2-[(4-methylphenyl)sulfonylamino]indol-1-yl]propanoic acid Traditional Name: 3-[2-(tosylamino)indol-1-yl]propionic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3N2CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3N2CCC(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-13-6-8-15(9-7-13)25(23,24)19-17-12-14-4-2-3-5-16(14)20(17)11-10-18(21)22/h2-9,12,19H,10-11H2,1H3,(H,21,22)