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

Systemtic Name: 3-azanyl-5-[5-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-(4-morpholinosulfonyl-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[4-(4-morpholinylsulfonyl)-2-nitroanilino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-(4-morpholin-4-ylsulfonyl-2-nitroanilino)pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-(4-morpholinosulfonyl-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile Formula: C19H25N7O5S MolecularWeight: 463.5107

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O5S/c20-13-15-16(23-24-19(15)21)4-2-1-3-7-22-17-6-5-14(12-18(17)26(27)28)32(29,30)25-8-10-31-11-9-25/h5-6,12,22H,1-4,7-11H2,(H3,21,23,24)