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

Systemtic Name: ethanedioic acid; N-[2-[[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide Openeye Name: N-[2-[(benzylamino)methyl]chroman-7-yl]methanesulfonamide; oxalic acid CAS Name: oxalic acid; N-[2-[[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-7-yl]methanesulfonamide IUPAC Name: N-[2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide; oxalic acid Traditional Name: N-[2-[(benzylamino)methyl]chroman-7-yl]methanesulfonamide; oxalic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(CCC(O2)CNCC3=CC=CC=C3)C=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(CCC(O2)CNCC3=CC=CC=C3)C=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O3S.C2H2O4/c1-24(21,22)20-16-9-7-15-8-10-17(23-18(15)11-16)13-19-12-14-5-3-2-4-6-14;3-1(4)2(5)6/h2-7,9,11,17,19-20H,8,10,12-13H2,1H3;(H,3,4)(H,5,6)