methyl 4-[(3-cyclopentyloxyphenyl)sulfamoyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(3-cyclopentyloxyphenyl)sulfamoyl]-3-nitro-benzoate Openeye Name: methyl 4-[[3-(cyclopentoxy)phenyl]sulfamoyl]-3-nitro-benzoate CAS Name: 4-[(3-cyclopentyloxyphenyl)sulfamoyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyclopentyloxyphenyl)sulfamoyl]-3-nitrobenzoate Traditional Name: 4-[[3-(cyclopentoxy)phenyl]sulfamoyl]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-27-19(22)13-9-10-18(17(11-13)21(23)24)29(25,26)20-14-5-4-8-16(12-14)28-15-6-2-3-7-15/h4-5,8-12,15,20H,2-3,6-7H2,1H3