5-(1H-imidazol-5-ylmethyl)-2-methylsulfonyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 5-(1H-imidazol-5-ylmethyl)-2-methylsulfonyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 3-benzyl-5-(1H-imidazol-5-ylmethyl)-2-methylsulfonyl-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 5-(1H-imidazol-5-ylmethyl)-2-methylsulfonyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 3-benzyl-5-(1H-imidazol-5-ylmethyl)-2-methylsulfonyl-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 3-benzyl-5-(1H-imidazol-5-ylmethyl)-2-mesyl-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(CN(C2=CC=CC=C2S1)CC3=CN=CN3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1C(CN(C2=CC=CC=C2S1)CC3=CN=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S2/c1-28(25,26)24-18(11-16-7-3-2-4-8-16)14-23(13-17-12-21-15-22-17)19-9-5-6-10-20(19)27-24/h2-10,12,15,18H,11,13-14H2,1H3,(H,21,22)