[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C17H19N5O7S2 MolecularWeight: 469.49206

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O7S2/c1-20-5-7-21(8-6-20)31(27,28)13-4-2-3-12(9-13)16(24)29-11-14(23)19-17-18-10-15(30-17)22(25)26/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,23)