N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-1-benzofuran-5-yl]methanesulfonamide; ethanedioic acid

Systemtic Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-1-benzofuran-5-yl]methanesulfonamide; ethanedioic acid Openeye Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran-5-yl]methanesulfonamide; oxalic acid CAS Name: N-[2-butyl-3-[[4-[3-(dibutylamino)propoxy]phenyl]-oxomethyl]-5-benzofuranyl]methanesulfonamide; oxalic acid IUPAC Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide; oxalic acid Traditional Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran-5-yl]methanesulfonamide; oxalic acid Formula: C33H46N2O9S MolecularWeight: 646.79134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H44N2O5S.C2H2O4/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;3-1(4)2(5)6/h13-18,23,32H,5-12,19-22H2,1-4H3;(H,3,4)(H,5,6)