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

Systemtic Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C27H26N6O6S MolecularWeight: 562.59694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=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

InChI

InChI=1S/C27H26N6O6S/c1-38-24-10-7-20(8-11-24)27-21(19-32(30-27)22-5-3-2-4-6-22)18-28-29-25-12-9-23(33(34)35)17-26(25)40(36,37)31-13-15-39-16-14-31/h2-12,17-19,29H,13-16H2,1H3/b28-18+