N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(1,1-diketothiolan-3-yl)benzamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O5S2/c26-22(23-20-9-14-31(27,28)17-20)19-7-4-8-21(15-19)32(29,30)25-12-10-24(11-13-25)16-18-5-2-1-3-6-18/h1-8,15,20H,9-14,16-17H2,(H,23,26)