[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O5S2/c1-24-9-11-25(12-10-24)32(28,29)16-6-4-5-15(13-16)20(27)30-14-19(26)23-21-22-17-7-2-3-8-18(17)31-21/h2-8,13H,9-12,14H2,1H3,(H,22,23,26)