7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one CAS Name: 7-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]sulfonyl]-6-chloro-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one Traditional Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one Formula: C20H19ClN4O4S2 MolecularWeight: 478.97226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=C5C(=C4)OCC(=O)N5)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=C5C(=C4)OCC(=O)N5)Cl

InChI

InChI=1S/C20H19ClN4O4S2/c21-13-9-15-16(29-12-19(26)22-15)10-18(13)31(27,28)25-7-5-24(6-8-25)11-20-23-14-3-1-2-4-17(14)30-20/h1-4,9-10H,5-8,11-12H2,(H,22,26)