N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c1-31-16-10-13(24(27)28)11-17-18(16)21-20(32-17)22-19(26)12-5-6-14(15(9-12)25(29)30)23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,22,26)