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

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c20-14-4-6-17(22-8-1-2-9-22)16(12-14)21-27(23,24)15-5-7-18-19(13-15)26-11-3-10-25-18/h4-7,12-13,21H,1-3,8-11H2