4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N5O4S/c1-12(2)20-27(25,26)15-6-7-16(17(11-15)22(23)24)18-8-5-9-21-14(4)10-13(3)19-21/h6-7,10-12,18,20H,5,8-9H2,1-4H3