[4-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[ethyl-(3-fluoro-4-methoxy-benzyl)carbamoyl]phenyl] ester Formula: C23H21FN2O7S MolecularWeight: 488.485443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21FN2O7S/c1-3-25(15-16-7-12-22(32-2)21(24)13-16)23(27)17-8-10-19(11-9-17)33-34(30,31)20-6-4-5-18(14-20)26(28)29/h4-14H,3,15H2,1-2H3