N-[4-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide; ethanedioic acid

Systemtic Name: N-[4-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide; ethanedioic acid Openeye Name: N-[4-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(5-bromo-2-methoxy-benzyl)piperazino]sulfonylphenyl]acetamide; oxalic acid Formula: C22H26BrN3O8S MolecularWeight: 572.42614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24BrN3O4S.C2H2O4/c1-15(25)22-18-4-6-19(7-5-18)29(26,27)24-11-9-23(10-12-24)14-16-13-17(21)3-8-20(16)28-2;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3,(H,22,25);(H,3,4)(H,5,6)