3-[3-[ethyl(thiophen-2-ylsulfonyl)amino]indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl(thiophen-2-ylsulfonyl)amino]indol-1-yl]propanoic acid Openeye Name: 3-[3-[ethyl(2-thienylsulfonyl)amino]indol-1-yl]propanoic acid CAS Name: 3-[3-[ethyl(thiophen-2-ylsulfonyl)amino]-1-indolyl]propanoic acid IUPAC Name: 3-[3-[ethyl(thiophen-2-ylsulfonyl)amino]indol-1-yl]propanoic acid Traditional Name: 3-[3-[ethyl(2-thienylsulfonyl)amino]indol-1-yl]propionic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O4S2/c1-2-19(25(22,23)17-8-5-11-24-17)15-12-18(10-9-16(20)21)14-7-4-3-6-13(14)15/h3-8,11-12H,2,9-10H2,1H3,(H,20,21)