ethanedioic acid; N-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide

Systemtic Name: ethanedioic acid; N-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[(5-methoxychroman-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide; oxalic acid CAS Name: N-[3-[(5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide; oxalic acid IUPAC Name: N-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide; oxalic acid Traditional Name: N-[3-[(5-methoxychroman-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide; oxalic acid Formula: C25H34N2O8S MolecularWeight: 522.61106

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCNS(=O)(=O)C1=CC=C(C=C1)C)C2CC3=C(C=CC=C3OC)OC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCCNS(=O)(=O)C1=CC=C(C=C1)C)C2CC3=C(C=CC=C3OC)OC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O4S.C2H2O4/c1-4-14-25(19-16-21-22(28-3)7-5-8-23(21)29-17-19)15-6-13-24-30(26,27)20-11-9-18(2)10-12-20;3-1(4)2(5)6/h5,7-12,19,24H,4,6,13-17H2,1-3H3;(H,3,4)(H,5,6)