(4-azanyl-3-nitro-phenyl) 4-cycloheptylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-cycloheptylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-cycloheptylbenzenesulfonate CAS Name: 4-cycloheptylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-cycloheptylbenzenesulfonate Traditional Name: 4-cycloheptylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5S/c20-18-12-9-16(13-19(18)21(22)23)26-27(24,25)17-10-7-15(8-11-17)14-5-3-1-2-4-6-14/h7-14H,1-6,20H2