N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)N4CCCC4=O

InChI

InChI=1S/C20H22N2O5S/c1-14-12-15(5-7-17(14)22-9-2-4-20(22)23)21-28(24,25)16-6-8-18-19(13-16)27-11-3-10-26-18/h5-8,12-13,21H,2-4,9-11H2,1H3