4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C16H21N7O4S MolecularWeight: 407.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O4S/c1-10(2)22-28(26,27)11-5-6-14(15(8-11)23(24)25)19-7-3-4-13-12(9-17)16(18)21-20-13/h5-6,8,10,19,22H,3-4,7H2,1-2H3,(H3,18,20,21)