[4-[(3-nitrophenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(3-nitrophenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-diisopropyl-4-(3-nitroanilino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3-nitroanilino)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [4-(3-nitroanilino)-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-diisopropyl-4-(3-nitroanilino)phenyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C(C)C)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C(C)C)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H28N2O5S/c1-16(2)23-14-20(26-19-7-6-8-21(13-19)27(28)29)15-24(17(3)4)25(23)32-33(30,31)22-11-9-18(5)10-12-22/h6-17,26H,1-5H3