6-chloranyl-N-(3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(3-morpholinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(3-morpholinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C20H21ClN2O6S/c21-17-11-14(12-18-19(17)29-8-2-7-28-18)20(24)22-15-3-1-4-16(13-15)30(25,26)23-5-9-27-10-6-23/h1,3-4,11-13H,2,5-10H2,(H,22,24)