[4-(1,3-dithiolan-2-yl)phenyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H24N2O5S3/c1-16(25)23-9-11-24(12-10-23)32(27,28)20-4-2-3-18(15-20)21(26)29-19-7-5-17(6-8-19)22-30-13-14-31-22/h2-8,15,22H,9-14H2,1H3