3-(1,3-benzothiazol-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-17-7-9-18(10-8-17)30(27,28)25-14-4-13-24(15-16-25)22(26)12-11-21-23-19-5-2-3-6-20(19)29-21/h2-3,5-10H,4,11-16H2,1H3