6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-tosyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H23N3O4S2/c1-15-3-6-17(7-4-15)30(27,28)24-10-2-9-23(11-12-24)21(26)16-5-8-19-18(13-16)22-20(25)14-29-19/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)