[4-(3-propan-2-yloxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(3-propan-2-yloxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(3-isopropoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(3-propan-2-yloxypropylamino)methyl]phenyl] ester IUPAC Name: [4-(3-propan-2-yloxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(3-isopropoxypropylcarbamoyl)phenyl] ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O7S/c1-14(2)27-12-4-11-20-19(22)15-7-9-17(10-8-15)28-29(25,26)18-6-3-5-16(13-18)21(23)24/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,20,22)