N-[(E)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(E)-(4-isopentyloxy-3-methoxy-phenyl)methyleneamino]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(E)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(E)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(E)-(4-isoamoxy-3-methoxy-benzylidene)amino]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OCCC(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N/N=C/C2=CC(=C(C=C2)OCCC(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-14(2)9-10-29-19-8-6-16(11-20(19)28-4)13-21-22-30(26,27)17-7-5-15(3)18(12-17)23(24)25/h5-8,11-14,22H,9-10H2,1-4H3/b21-13+