2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)-1,3-benzothiazole Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O2S2/c1-15-7-9-16(10-8-15)26(23,24)22-12-4-11-21(13-14-22)19-20-17-5-2-3-6-18(17)25-19/h2-3,5-10H,4,11-14H2,1H3