1,3-benzothiazol-2-ylmethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O5S2/c1-15(25)23-9-11-24(12-10-23)31(27,28)17-6-4-5-16(13-17)21(26)29-14-20-22-18-7-2-3-8-19(18)30-20/h2-8,13H,9-12,14H2,1H3