4-bromanyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-bromo-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-bromo-N-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C19H20BrN3O6S MolecularWeight: 498.3476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O6S/c1-29-18-8-6-14(30(27,28)22-9-3-2-4-10-22)12-16(18)21-19(24)13-5-7-15(20)17(11-13)23(25)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,24)