2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]acetic acid CAS Name: 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]acetic acid Traditional Name: 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]acetic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)S(=O)(=O)N3C=C(C4=CC=CC=C43)CC(=O)O

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)S(=O)(=O)N3C=C(C4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C19H18N2O4S/c22-19(23)10-15-12-21(18-4-2-1-3-17(15)18)26(24,25)16-6-5-13-7-8-20-11-14(13)9-16/h1-6,9,12,20H,7-8,10-11H2,(H,22,23)