2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide; ethanedioic acid Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide; oxalic acid CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide; oxalic acid IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide; oxalic acid Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-N-(3-pyrrolidinosulfonylphenyl)acetamide; oxalic acid Formula: C23H28BrN3O8S MolecularWeight: 586.45272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26BrN3O4S.C2H2O4/c1-24(14-16-12-17(22)8-9-20(16)29-2)15-21(26)23-18-6-5-7-19(13-18)30(27,28)25-10-3-4-11-25;3-1(4)2(5)6/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,23,26);(H,3,4)(H,5,6)