4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-tert-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylamino]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylamino]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C18H25N7O4S MolecularWeight: 435.5006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H25N7O4S/c1-18(2,3)23-30(28,29)12-7-8-15(16(10-12)25(26)27)24(4)9-5-6-14-13(11-19)17(20)22-21-14/h7-8,10,23H,5-6,9H2,1-4H3,(H3,20,21,22)