2-[(E)-(2-methylphenyl)methylideneamino]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(E)-(2-methylphenyl)methylideneamino]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[(E)-o-tolylmethyleneamino]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-[(E)-(2-methylphenyl)methylideneamino]oxy-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(E)-(2-methylphenyl)methylideneamino]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(E)-(2-methylbenzylidene)amino]oxy-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NOC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1/C=N/OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O4S/c1-16-7-3-4-8-18(16)15-22-28-17(2)21(25)23-19-9-11-20(12-10-19)29(26,27)24-13-5-6-14-24/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,23,25)/b22-15+