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

Systemtic Name: N-[(E)-(4-bromophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-(4-bromophenyl)methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-(4-bromophenyl)methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-(4-bromophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-(4-bromobenzylidene)amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O4S/c18-14-5-3-13(4-6-14)12-19-20-16-8-7-15(11-17(16)22(23)24)27(25,26)21-9-1-2-10-21/h3-8,11-12,20H,1-2,9-10H2/b19-12+