3-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O5S/c25-20(10-13-24-18-8-1-2-9-19(18)29-15-21(24)26)22-16-6-5-7-17(14-16)30(27,28)23-11-3-4-12-23/h1-2,5-9,14H,3-4,10-13,15H2,(H,22,25)