3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C16H17ClN3O4S2+ MolecularWeight: 414.90688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C16H16ClN3O4S2/c17-14-5-6-15(25-14)26(22,23)19-9-7-18(8-10-19)11-20-12-3-1-2-4-13(12)24-16(20)21/h1-6H,7-11H2/p+1