1,3-bis(oxidanylidene)-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-5-sulfonic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-5-sulfonic acid Openeye Name: 1,3-dioxo-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-5-sulfonic acid CAS Name: 1,3-dioxo-2-[2-(1-pyrrolidinyl)ethyl]-5-benzo[de]isoquinolinesulfonic acid IUPAC Name: 1,3-dioxo-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-5-sulfonic acid Traditional Name: 1,3-diketo-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-5-sulfonic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)S(=O)(=O)O

InChI

InChI=1S/C18H18N2O5S/c21-17-14-5-3-4-12-10-13(26(23,24)25)11-15(16(12)14)18(22)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2,(H,23,24,25)