[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[4-(1,1-diketothiolan-3-yl)piperazino]-2-keto-ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H25N3O5S/c25-20(24-12-10-23(11-13-24)19-7-14-30(27,28)16-19)15-29-21(26)17-3-5-18(6-4-17)22-8-1-2-9-22/h1-6,8-9,19H,7,10-16H2