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

Systemtic Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C28H24N6O6S MolecularWeight: 572.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H24N6O6S/c35-34(36)25-17-23(41(37,38)32-12-14-39-15-13-32)10-11-24(25)30-29-18-21-19-33(22-7-2-1-3-8-22)31-28(21)27-16-20-6-4-5-9-26(20)40-27/h1-11,16-19,30H,12-15H2/b29-18+