[(E)-[azanyl-(3-bromophenyl)methylidene]amino] (2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: [(E)-[azanyl-(3-bromophenyl)methylidene]amino] (2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate Openeye Name: [(E)-[amino-(3-bromophenyl)methylene]amino] (2R)-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid [(E)-[amino-(3-bromophenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(3-bromophenyl)methylidene]amino] (2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate Traditional Name: (2R)-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid [(E)-[amino-(3-bromophenyl)methylene]amino] ester Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)ON=C(C4=CC(=CC=C4)Br)N

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O/N=C(\C4=CC(=CC=C4)Br)/N

InChI

InChI=1S/C22H20BrN3O4S/c23-18-8-3-7-17(13-18)21(24)25-30-22(27)20-9-4-12-26(20)31(28,29)19-11-10-15-5-1-2-6-16(15)14-19/h1-3,5-8,10-11,13-14,20H,4,9,12H2,(H2,24,25)/t20-/m1/s1