N-[(E)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(E)-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)amino]-4-methyl-3-nitro-benzenesulfonamide Formula: C18H16ClN3O6S MolecularWeight: 437.85414

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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)Cl)OCC#C)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6S/c1-4-7-28-18-15(19)8-13(9-17(18)27-3)11-20-21-29(25,26)14-6-5-12(2)16(10-14)22(23)24/h1,5-6,8-11,21H,7H2,2-3H3/b20-11+