ethanedioic acid; N-[2-[[(4-methylphenyl)methylamino]methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide

Systemtic Name: ethanedioic acid; N-[2-[[(4-methylphenyl)methylamino]methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide Openeye Name: oxalic acid; N-[2-[(p-tolylmethylamino)methyl]chroman-7-yl]methanesulfonamide CAS Name: N-[2-[[(4-methylphenyl)methylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-yl]methanesulfonamide; oxalic acid IUPAC Name: N-[2-[[(4-methylphenyl)methylamino]methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide; oxalic acid Traditional Name: N-[2-[[(4-methylbenzyl)amino]methyl]chroman-7-yl]methanesulfonamide; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2CCC3=C(O2)C=C(C=C3)NS(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2CCC3=C(O2)C=C(C=C3)NS(=O)(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-14-3-5-15(6-4-14)12-20-13-18-10-8-16-7-9-17(11-19(16)24-18)21-25(2,22)23;3-1(4)2(5)6/h3-7,9,11,18,20-21H,8,10,12-13H2,1-2H3;(H,3,4)(H,5,6)