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

Systemtic Name: ethanedioic acid; N-[2-[(3-oxidanylpropylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide Openeye Name: N-[2-[(3-hydroxypropylamino)methyl]chroman-7-yl]methanesulfonamide; oxalic acid CAS Name: N-[2-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl]methanesulfonamide; oxalic acid IUPAC Name: N-[2-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide; oxalic acid Traditional Name: N-[2-[(3-hydroxypropylamino)methyl]chroman-7-yl]methanesulfonamide; oxalic acid Formula: C16H24N2O8S MolecularWeight: 404.43536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(CCC(O2)CNCCCO)C=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(CCC(O2)CNCCCO)C=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O4S.C2H2O4/c1-21(18,19)16-12-5-3-11-4-6-13(20-14(11)9-12)10-15-7-2-8-17;3-1(4)2(5)6/h3,5,9,13,15-17H,2,4,6-8,10H2,1H3;(H,3,4)(H,5,6)