ethanedioic acid; 4-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]benzenesulfonamide

Systemtic Name: ethanedioic acid; 4-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]benzenesulfonamide Openeye Name: 4-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]benzenesulfonamide; oxalic acid CAS Name: 4-[1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylamino]ethyl]benzenesulfonamide; oxalic acid IUPAC Name: 4-[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]ethyl]benzenesulfonamide; oxalic acid Traditional Name: 4-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]benzenesulfonamide; oxalic acid Formula: C27H28N4O7S MolecularWeight: 552.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)NCC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)NCC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N4O3S.C2H2O4/c1-18(19-10-14-24(15-11-19)33(26,30)31)27-16-21-17-29(22-6-4-3-5-7-22)28-25(21)20-8-12-23(32-2)13-9-20;3-1(4)2(5)6/h3-15,17-18,27H,16H2,1-2H3,(H2,26,30,31);(H,3,4)(H,5,6)