ethanedioic acid; N-[1-[(2-oxidanyl-3-phenoxy-propyl)amino]propan-2-yl]benzenesulfonamide

Systemtic Name: ethanedioic acid; N-[1-[(2-oxidanyl-3-phenoxy-propyl)amino]propan-2-yl]benzenesulfonamide Openeye Name: N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]-1-methyl-ethyl]benzenesulfonamide; oxalic acid CAS Name: N-[1-[(2-hydroxy-3-phenoxypropyl)amino]propan-2-yl]benzenesulfonamide; oxalic acid IUPAC Name: N-[1-[(2-hydroxy-3-phenoxypropyl)amino]propan-2-yl]benzenesulfonamide; oxalic acid Traditional Name: N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]-1-methyl-ethyl]benzenesulfonamide; oxalic acid Formula: C20H26N2O8S MolecularWeight: 454.49404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(COC1=CC=CC=C1)O)NS(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCC(COC1=CC=CC=C1)O)NS(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24N2O4S.C2H2O4/c1-15(20-25(22,23)18-10-6-3-7-11-18)12-19-13-16(21)14-24-17-8-4-2-5-9-17;3-1(4)2(5)6/h2-11,15-16,19-21H,12-14H2,1H3;(H,3,4)(H,5,6)