2-(2-chlorophenyl)-7-piperazin-1-yl-1-benzofuran-5-sulfonic acid

Systemtic Name: 2-(2-chlorophenyl)-7-piperazin-1-yl-1-benzofuran-5-sulfonic acid Openeye Name: 2-(2-chlorophenyl)-7-piperazin-1-yl-benzofuran-5-sulfonic acid CAS Name: 2-(2-chlorophenyl)-7-(1-piperazinyl)-5-benzofuransulfonic acid IUPAC Name: 2-(2-chlorophenyl)-7-piperazin-1-yl-1-benzofuran-5-sulfonic acid Traditional Name: 2-(2-chlorophenyl)-7-piperazino-benzofuran-5-sulfonic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C(=CC(=C2)S(=O)(=O)O)C=C(O3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1)C2=C3C(=CC(=C2)S(=O)(=O)O)C=C(O3)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H17ClN2O4S/c19-15-4-2-1-3-14(15)17-10-12-9-13(26(22,23)24)11-16(18(12)25-17)21-7-5-20-6-8-21/h1-4,9-11,20H,5-8H2,(H,22,23,24)