6-chloranyl-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c21-15-10-13(11-18-19(15)29-9-3-8-28-18)20(25)22-16-12-14(4-5-17(16)24)30(26,27)23-6-1-2-7-23/h4-5,10-12,24H,1-3,6-9H2,(H,22,25)