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

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-cyclopentylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-cyclopentylbenzenesulfonate CAS Name: 4-cyclopentylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-cyclopentylbenzenesulfonate Traditional Name: 4-cyclopentylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c18-16-10-7-14(11-17(16)19(20)21)24-25(22,23)15-8-5-13(6-9-15)12-3-1-2-4-12/h5-12H,1-4,18H2