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

Systemtic Name: [3-cyano-2-[(4-methoxyphenyl)carbonylamino]-4-[(phenylmethyl)amino]quinolin-6-yl]-methyl-sulfamic acid Openeye Name: [4-(benzylamino)-3-cyano-2-[(4-methoxybenzoyl)amino]-6-quinolyl]-methyl-sulfamic acid CAS Name: [3-cyano-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-[(phenylmethyl)amino]-6-quinolinyl]-methylsulfamic acid IUPAC Name: [4-(benzylamino)-3-cyano-2-[(4-methoxybenzoyl)amino]quinolin-6-yl]-methylsulfamic acid Traditional Name: [4-(benzylamino)-3-cyano-2-(p-anisoylamino)-6-quinolyl]-methyl-sulfamic acid Formula: C26H23N5O5S MolecularWeight: 517.55632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)OC)S(=O)(=O)O

Isomeric SMILES

CN(C1=CC2=C(C=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)OC)S(=O)(=O)O

InChI

InChI=1S/C26H23N5O5S/c1-31(37(33,34)35)19-10-13-23-21(14-19)24(28-16-17-6-4-3-5-7-17)22(15-27)25(29-23)30-26(32)18-8-11-20(36-2)12-9-18/h3-14H,16H2,1-2H3,(H,33,34,35)(H2,28,29,30,32)