[3-cyano-2-[(4-methoxyphenyl)carbonylamino]-4-[(phenylmethyl)amino]quinolin-6-yl]sulfamic acid

Systemtic Name: [3-cyano-2-[(4-methoxyphenyl)carbonylamino]-4-[(phenylmethyl)amino]quinolin-6-yl]sulfamic acid Openeye Name: [4-(benzylamino)-3-cyano-2-[(4-methoxybenzoyl)amino]-6-quinolyl]sulfamic acid CAS Name: [3-cyano-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-[(phenylmethyl)amino]-6-quinolinyl]sulfamic acid IUPAC Name: [4-(benzylamino)-3-cyano-2-[(4-methoxybenzoyl)amino]quinolin-6-yl]sulfamic acid Traditional Name: [4-(benzylamino)-3-cyano-2-(p-anisoylamino)-6-quinolyl]sulfamic acid Formula: C25H21N5O5S MolecularWeight: 503.52974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)NS(=O)(=O)O)C(=C2C#N)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)NS(=O)(=O)O)C(=C2C#N)NCC4=CC=CC=C4

InChI

InChI=1S/C25H21N5O5S/c1-35-19-10-7-17(8-11-19)25(31)29-24-21(14-26)23(27-15-16-5-3-2-4-6-16)20-13-18(30-36(32,33)34)9-12-22(20)28-24/h2-13,30H,15H2,1H3,(H,32,33,34)(H2,27,28,29,31)