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

Systemtic Name: 3-[1-(phenylsulfonyl)-5-thiophen-3-yl-indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-(3-thienyl)indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-(3-thiophenyl)-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-thiophen-3-ylindol-3-yl]propanoic acid Traditional Name: 3-[1-besyl-5-(3-thienyl)indol-3-yl]propionic acid Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C4=CSC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C4=CSC=C4)CCC(=O)O

InChI

InChI=1S/C21H17NO4S2/c23-21(24)9-7-16-13-22(28(25,26)18-4-2-1-3-5-18)20-8-6-15(12-19(16)20)17-10-11-27-14-17/h1-6,8,10-14H,7,9H2,(H,23,24)