4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-nitro-phenol

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-nitro-phenol Openeye Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-nitro-phenol CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-nitrophenol IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-nitrophenol Traditional Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-nitro-phenol Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c1-13-5-2-6-14(8-7-13)21(19,20)10-3-4-12(16)11(9-10)15(17)18/h3-4,9,16H,2,5-8H2,1H3