3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)-1-[4-(2-thenoyl)piperazino]propan-1-one Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c26-21(23-13-15-24(16-14-23)22(27)20-4-3-17-30-20)10-7-18-5-8-19(9-6-18)31(28,29)25-11-1-2-12-25/h3-6,8-9,17H,1-2,7,10-16H2