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

Systemtic Name: N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(pyrrolidine-1-carbonyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c24-21(23-10-1-2-11-23)17-6-4-16(5-7-17)15-22-29(25,26)18-8-9-19-20(14-18)28-13-3-12-27-19/h4-9,14,22H,1-3,10-13,15H2