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

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-[4-(2-thenyl)piperazino]acetamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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