N-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propyl]-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-4-(2-ketopyrrolidino)benzenesulfonamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-13-18(23(25)26)14(2)22(20-13)12-4-10-19-29(27,28)16-8-6-15(7-9-16)21-11-3-5-17(21)24/h6-9,19H,3-5,10-12H2,1-2H3