N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C21H21ClN6O5S MolecularWeight: 504.94664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN6O5S/c1-15-18(21(22)27(25-15)16-5-3-2-4-6-16)14-23-24-19-8-7-17(28(29)30)13-20(19)34(31,32)26-9-11-33-12-10-26/h2-8,13-14,24H,9-12H2,1H3/b23-14+