N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC/C(=N\NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N4O7S/c1-4-17(15-5-8-20(30-2)21(13-15)31-3)22-23-18-7-6-16(14-19(18)25(26)27)33(28,29)24-9-11-32-12-10-24/h5-8,13-14,23H,4,9-12H2,1-3H3/b22-17+