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

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H19N3O4S2/c1-22-10-9-20-19(22)27-15-5-3-14(4-6-15)21-28(23,24)16-7-8-17-18(13-16)26-12-2-11-25-17/h3-10,13,21H,2,11-12H2,1H3