N-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(pyrrolidine-1-carbonyl)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:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H22N2O5S/c23-20(22-10-1-2-11-22)15-4-6-16(7-5-15)21-28(24,25)17-8-9-18-19(14-17)27-13-3-12-26-18/h4-9,14,21H,1-3,10-13H2