N-[3-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(3-oxopiperazine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(3-oxopiperazine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(3-ketopiperazine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)N4CCNC(=O)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)N4CCNC(=O)C4)OC1

InChI

InChI=1S/C20H21N3O6S/c24-19-13-23(8-7-21-19)20(25)14-3-1-4-15(11-14)22-30(26,27)16-5-6-17-18(12-16)29-10-2-9-28-17/h1,3-6,11-12,22H,2,7-10,13H2,(H,21,24)