ethanedioic acid; N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: ethanedioic acid; N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: oxalic acid; N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2-thienylmethyl)piperazin-1-yl]acetamide CAS Name: oxalic acid; N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: oxalic acid; N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: oxalic acid; N-(3-pyrrolidinosulfonylphenyl)-2-[4-(2-thenyl)piperazino]acetamide Formula: C25H32N4O11S2 MolecularWeight: 628.67178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)CC4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)CC4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N4O3S2.2C2H2O4/c26-21(17-24-12-10-23(11-13-24)16-19-6-4-14-29-19)22-18-5-3-7-20(15-18)30(27,28)25-8-1-2-9-25;2*3-1(4)2(5)6/h3-7,14-15H,1-2,8-13,16-17H2,(H,22,26);2*(H,3,4)(H,5,6)