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

Systemtic Name: 3-azanyl-5-[3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(4-morpholinosulfonyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[4-(4-morpholinylsulfonyl)-2-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(4-morpholinosulfonyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C17H21N7O5S MolecularWeight: 435.45754

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O5S/c18-11-13-14(21-22-17(13)19)2-1-5-20-15-4-3-12(10-16(15)24(25)26)30(27,28)23-6-8-29-9-7-23/h3-4,10,20H,1-2,5-9H2,(H3,19,21,22)