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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O4S2/c1-22-9-11-23(12-10-22)29(25,26)16-6-4-5-15(13-16)20(24)27-14-19-21-17-7-2-3-8-18(17)28-19/h2-8,13H,9-12,14H2,1H3