3-aminocarbonyl-1-phenethyl-4H-quinoline-4-sulfonic acid; sodium

Systemtic Name: 3-aminocarbonyl-1-phenethyl-4H-quinoline-4-sulfonic acid; sodium Openeye Name: 3-carbamoyl-1-phenethyl-4H-quinoline-4-sulfonic acid; sodium CAS Name: 3-carbamoyl-1-phenethyl-4H-quinoline-4-sulfonic acid; sodium IUPAC Name: 3-carbamoyl-1-phenethyl-4H-quinoline-4-sulfonic acid; sodium Traditional Name: 3-carbamoyl-1-phenethyl-4H-quinoline-4-sulfonic acid; sodium Formula: C18H18N2NaO4S MolecularWeight: 381.40129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(C3=CC=CC=C32)S(=O)(=O)O)C(=O)N.[Na]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(C3=CC=CC=C32)S(=O)(=O)O)C(=O)N.[Na]

InChI

InChI=1S/C18H18N2O4S.Na/c19-18(21)15-12-20(11-10-13-6-2-1-3-7-13)16-9-5-4-8-14(16)17(15)25(22,23)24;/h1-9,12,17H,10-11H2,(H2,19,21)(H,22,23,24);