3-[5-methyl-1-(phenylsulfonyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[5-methyl-1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-methyl-indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-methyl-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-methylindol-3-yl]propanoic acid Traditional Name: 3-(1-besyl-5-methyl-indol-3-yl)propionic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO4S/c1-13-7-9-17-16(11-13)14(8-10-18(20)21)12-19(17)24(22,23)15-5-3-2-4-6-15/h2-7,9,11-12H,8,10H2,1H3,(H,20,21)