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

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(3-thiophenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-[4-(3-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=CC(=C2)NC(=O)CN3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)CC4=CSC=C4

InChI

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