3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-13-18(23(25)26)14(2)22(20-13)11-8-17(24)19-15-6-5-7-16(12-15)29(27,28)21-9-3-4-10-21/h5-7,12H,3-4,8-11H2,1-2H3,(H,19,24)