N-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-(3,4-dibenzyloxyphenyl)methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-(3,4-dibenzoxybenzylidene)amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C31H30N4O6S MolecularWeight: 586.6581

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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)OCC4=CC=CC=C4)OCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H30N4O6S/c36-35(37)29-20-27(42(38,39)34-17-7-8-18-34)14-15-28(29)33-32-21-26-13-16-30(40-22-24-9-3-1-4-10-24)31(19-26)41-23-25-11-5-2-6-12-25/h1-6,9-16,19-21,33H,7-8,17-18,22-23H2/b32-21+