[2-[methyl-[3-(2-nitrophenyl)prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[methyl-[3-(2-nitrophenyl)prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[methyl-[3-(2-nitrophenyl)prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[methyl-[3-(2-nitrophenyl)prop-2-ynyl]amino]phenyl] ester IUPAC Name: [2-[methyl-[3-(2-nitrophenyl)prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[methyl-[3-(2-nitrophenyl)prop-2-ynyl]amino]phenyl] ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(C)CC#CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(C)CC#CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5S/c1-18-13-15-20(16-14-18)31(28,29)30-23-12-6-5-11-22(23)24(2)17-7-9-19-8-3-4-10-21(19)25(26)27/h3-6,8,10-16H,17H2,1-2H3