2-[[4-(4-aminophenyl)sulfonylphenyl]amino]ethanoic acid; 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide

Systemtic Name: 2-[[4-(4-aminophenyl)sulfonylphenyl]amino]ethanoic acid; 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide Openeye Name: 2-[4-(4-aminophenyl)sulfonylanilino]acetic acid; 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide CAS Name: 2-[4-(4-aminophenyl)sulfonylanilino]acetic acid; 2-butoxy-N-(2-diethylaminoethyl)-4-quinolinecarboxamide IUPAC Name: 2-[4-(4-aminophenyl)sulfonylanilino]acetic acid; 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide Traditional Name: 2-butoxy-N-(2-diethylaminoethyl)cinchoninamide; 2-(4-sulfanilylanilino)acetic acid Formula: C34H43N5O6S MolecularWeight: 649.80012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)O

Isomeric SMILES

CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)O

InChI

InChI=1S/C20H29N3O2.C14H14N2O4S/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1-8,16H,9,15H2,(H,17,18)