[4-(phenylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonyl-2-thienyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[3-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(3-pyrrolidinosulfonyl-2-thienyl)methanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N3O3S2/c24-20(19-18(8-15-27-19)28(25,26)23-9-4-5-10-23)22-13-11-21(12-14-22)16-17-6-2-1-3-7-17/h1-3,6-8,15H,4-5,9-14,16H2