N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C28H28N6O7S MolecularWeight: 592.62292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H28N6O7S/c1-39-25-11-8-20(16-26(25)40-2)28-21(19-33(31-28)22-6-4-3-5-7-22)18-29-30-24-10-9-23(34(35)36)17-27(24)42(37,38)32-12-14-41-15-13-32/h3-11,16-19,30H,12-15H2,1-2H3/b29-18+