pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylic acid amyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N2O7S/c1-3-4-5-11-29-21(24)20-14(2)30-19-10-9-15(12-18(19)20)22-31(27,28)17-8-6-7-16(13-17)23(25)26/h6-10,12-13,22H,3-5,11H2,1-2H3