N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-(4-morpholinophenyl)methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-[4-(4-morpholinyl)phenyl]methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-(4-morpholinobenzylidene)amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c27-26(28)21-15-19(32(29,30)25-9-1-2-10-25)7-8-20(21)23-22-16-17-3-5-18(6-4-17)24-11-13-31-14-12-24/h3-8,15-16,23H,1-2,9-14H2/b22-16+