[4-[butyl(phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[butyl(phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[butyl(phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(N-butylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[butyl(phenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[butyl(phenyl)carbamoyl]phenyl] ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O6S/c1-3-4-16-25(20-8-6-5-7-9-20)24(27)19-11-14-22(15-12-19)32-33(30,31)23-17-21(26(28)29)13-10-18(23)2/h5-15,17H,3-4,16H2,1-2H3