[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: m-tolyl-(4-piazthiol-4-ylsulfonyl-1,4-diazepan-1-yl)methanone Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N4O3S2/c1-14-5-2-6-15(13-14)19(24)22-9-4-10-23(12-11-22)28(25,26)17-8-3-7-16-18(17)21-27-20-16/h2-3,5-8,13H,4,9-12H2,1H3