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

Systemtic Name: 4-chloranyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(E)-(4-isopentyloxyphenyl)methyleneamino]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(E)-(4-isoamoxybenzylidene)amino]-3-nitro-benzenesulfonamide Formula: C18H20ClN3O5S MolecularWeight: 425.8865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O5S/c1-13(2)9-10-27-15-5-3-14(4-6-15)12-20-21-28(25,26)16-7-8-17(19)18(11-16)22(23)24/h3-8,11-13,21H,9-10H2,1-2H3/b20-12+