3-[3-[(2,4-dichlorophenyl)sulfonyl-ethyl-amino]indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(2,4-dichlorophenyl)sulfonyl-ethyl-amino]indol-1-yl]propanoic acid Openeye Name: 3-[3-[(2,4-dichlorophenyl)sulfonyl-ethyl-amino]indol-1-yl]propanoic acid CAS Name: 3-[3-[(2,4-dichlorophenyl)sulfonyl-ethylamino]-1-indolyl]propanoic acid IUPAC Name: 3-[3-[(2,4-dichlorophenyl)sulfonyl-ethylamino]indol-1-yl]propanoic acid Traditional Name: 3-[3-[(2,4-dichlorophenyl)sulfonyl-ethyl-amino]indol-1-yl]propionic acid Formula: C19H18Cl2N2O4S MolecularWeight: 441.32822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O4S/c1-2-23(28(26,27)18-8-7-13(20)11-15(18)21)17-12-22(10-9-19(24)25)16-6-4-3-5-14(16)17/h3-8,11-12H,2,9-10H2,1H3,(H,24,25)