[4-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[[(1R)-1-(2-pyridyl)ethyl]carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[oxo-[[(1R)-1-(2-pyridinyl)ethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[[(1R)-1-(2-pyridyl)ethyl]carbamoyl]phenyl] ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)N[C@H](C)C3=CC=CC=N3

InChI

InChI=1S/C21H19N3O6S/c1-14-6-9-17(24(26)27)13-20(14)31(28,29)30-18-10-7-16(8-11-18)21(25)23-15(2)19-5-3-4-12-22-19/h3-13,15H,1-2H3,(H,23,25)/t15-/m1/s1