3-azanyl-5-[3-[methyl-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[methyl-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(N-methyl-2-morpholinosulfonyl-4-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[N-methyl-2-(4-morpholinylsulfonyl)-4-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(N-methyl-2-morpholin-4-ylsulfonyl-4-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(N-methyl-2-morpholinosulfonyl-4-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C18H23N7O5S MolecularWeight: 449.48412

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N7O5S/c1-23(6-2-3-15-14(12-19)18(20)22-21-15)16-5-4-13(25(26)27)11-17(16)31(28,29)24-7-9-30-10-8-24/h4-5,11H,2-3,6-10H2,1H3,(H3,20,21,22)