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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4)OC1

InChI

InChI=1S/C17H15ClN4O4S/c18-12-2-4-15(22-11-19-10-20-22)14(8-12)21-27(23,24)13-3-5-16-17(9-13)26-7-1-6-25-16/h2-5,8-11,21H,1,6-7H2