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

Systemtic Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-N-phenyl-benzenesulfonamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O4S/c1-15-13-16(2)24(22-15)12-6-11-21-19-10-9-18(14-20(19)25(26)27)30(28,29)23-17-7-4-3-5-8-17/h3-5,7-10,13-14,21,23H,6,11-12H2,1-2H3