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

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H23N7O4S MolecularWeight: 421.47402

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H23N7O4S/c1-11(2)22-29(27,28)12-6-7-15(16(9-12)24(25)26)23(3)8-4-5-14-13(10-18)17(19)21-20-14/h6-7,9,11,22H,4-5,8H2,1-3H3,(H3,19,20,21)