2-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl-(thiophen-2-ylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl-(thiophen-2-ylmethyl)amino]ethanoic acid Openeye Name: 2-[(5-bromo-1-propanoyl-indolin-7-yl)sulfonyl-(2-thienylmethyl)amino]acetic acid CAS Name: 2-[[5-bromo-1-(1-oxopropyl)-2,3-dihydroindol-7-yl]sulfonyl-(thiophen-2-ylmethyl)amino]acetic acid IUPAC Name: 2-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl-(thiophen-2-ylmethyl)amino]acetic acid Traditional Name: 2-[(5-bromo-1-propionyl-indolin-7-yl)sulfonyl-(2-thenyl)amino]acetic acid Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N(CC3=CC=CS3)CC(=O)O)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N(CC3=CC=CS3)CC(=O)O)Br

InChI

InChI=1S/C18H19BrN2O5S2/c1-2-16(22)21-6-5-12-8-13(19)9-15(18(12)21)28(25,26)20(11-17(23)24)10-14-4-3-7-27-14/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,23,24)