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

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c22-28(23,16-7-8-18-19(14-16)27-12-4-11-26-18)20-15-5-3-6-17(13-15)29(24,25)21-9-1-2-10-21/h3,5-8,13-14,20H,1-2,4,9-12H2