[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2,6-diisopropylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2,6-di(propan-2-yl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2,6-diisopropylphenyl)carbamoyl]phenyl] ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O6S/c1-16(2)22-9-6-10-23(17(3)4)24(22)26-25(28)18-11-13-20(14-12-18)33-34(31,32)21-8-5-7-19(15-21)27(29)30/h5-17H,1-4H3,(H,26,28)