2-azanyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(p-tolylsulfonyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 2-amino-3-(1-tosylindol-3-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)N2C=C(C3=CC=CC=C32)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)O)N

InChI

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