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

Systemtic Name: N-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(5-methyl-2-phenyl-triazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(5-methyl-2-phenyl-4-triazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(5-methyl-2-phenyl-triazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O4S/c1-14-17(22-23(21-14)15-6-3-2-4-7-15)13-20-28(24,25)16-8-9-18-19(12-16)27-11-5-10-26-18/h2-4,6-9,12,20H,5,10-11,13H2,1H3