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

Systemtic Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethyl-amino]-2-methyl-indol-1-yl]propanoic acid Openeye Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethyl-amino]-2-methyl-indol-1-yl]propanoic acid CAS Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethylamino]-2-methyl-1-indolyl]propanoic acid IUPAC Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethylamino]-2-methylindol-1-yl]propanoic acid Traditional Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethyl-amino]-2-methyl-indol-1-yl]propionic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-3-23(28(26,27)16-10-8-15(21)9-11-16)20-14(2)22(13-12-19(24)25)18-7-5-4-6-17(18)20/h4-11H,3,12-13H2,1-2H3,(H,24,25)