N-[(2R)-1-oxidanylidene-1-(3-oxidanylidenepiperazin-1-yl)-3-phenyl-propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-1-oxidanylidene-1-(3-oxidanylidenepiperazin-1-yl)-3-phenyl-propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1R)-1-benzyl-2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-1-oxo-1-(3-oxo-1-piperazinyl)-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-1-oxo-1-(3-oxopiperazin-1-yl)-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1R)-1-benzyl-2-keto-2-(3-ketopiperazino)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)[C@@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O6S/c25-20-14-24(9-8-22-20)21(26)17(12-15-4-2-1-3-5-15)23-31(27,28)16-6-7-18-19(13-16)30-11-10-29-18/h1-7,13,17,23H,8-12,14H2,(H,22,25)/t17-/m1/s1