methyl 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-nitro-4-piperidino-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-30-20(27)14-5-7-15-18(12-14)31-21(22-15)23-19(26)13-6-8-16(17(11-13)25(28)29)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23,26)