[4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]pentyl] ester IUPAC Name: [4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-methyl-4-[(4-nitrobenzyl)oxycarbonylamino]pentyl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)(C)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)(C)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O7S/c1-16-5-11-19(12-6-16)31(27,28)30-14-4-13-21(2,3)22-20(24)29-15-17-7-9-18(10-8-17)23(25)26/h5-12H,4,13-15H2,1-3H3,(H,22,24)