3-(1-methylindol-3-yl)-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-(1-methylindol-3-yl)-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-(1-methylindol-3-yl)propanoic acid CAS Name: 2-(benzenesulfonamido)-3-(1-methyl-3-indolyl)propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-(1-methylindol-3-yl)propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-(1-methylindol-3-yl)propionic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

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