1-[2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylethyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylethyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylethyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[2-[[(2R)-2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]ethyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylethyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidino]sulfonylethyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCS(=O)(=O)N2CCCC2C3=CC(=C(C=C3)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCS(=O)(=O)N2CCC[C@@H]2C3=CC(=C(C=C3)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6S/c1-13-19(23(24)25)14(2)21(20-13)10-11-30(26,27)22-9-5-6-16(22)15-7-8-17(28-3)18(12-15)29-4/h7-8,12,16H,5-6,9-11H2,1-4H3/t16-/m1/s1