N-butyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-butyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]butan-1-amine; ethanedioic acid Openeye Name: N-butyl-N-[3-[4-[(2-isopropyl-3-quinolyl)sulfonyl]phenoxy]propyl]butan-1-amine; oxalic acid CAS Name: N-butyl-N-[3-[4-[(2-propan-2-yl-3-quinolinyl)sulfonyl]phenoxy]propyl]-1-butanamine; oxalic acid IUPAC Name: N-butyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid Traditional Name: dibutyl-[3-[4-[(2-isopropyl-3-quinolyl)sulfonyl]phenoxy]propyl]amine; oxalic acid Formula: C31H42N2O7S MolecularWeight: 586.73938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3N=C2C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3N=C2C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H40N2O3S.C2H2O4/c1-5-7-18-31(19-8-6-2)20-11-21-34-25-14-16-26(17-15-25)35(32,33)28-22-24-12-9-10-13-27(24)30-29(28)23(3)4;3-1(4)2(5)6/h9-10,12-17,22-23H,5-8,11,18-21H2,1-4H3;(H,3,4)(H,5,6)