1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(1-phenyl-5-tetrazolyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NN=NN4C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NN=NN4C5=CC=CC=C5)OC1

InChI

InChI=1S/C20H22N6O4S/c27-31(28,17-7-8-18-19(15-17)30-14-4-13-29-18)25-11-9-24(10-12-25)20-21-22-23-26(20)16-5-2-1-3-6-16/h1-3,5-8,15H,4,9-14H2