3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C16H18N3O4S2+ MolecularWeight: 380.46182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N3O4S2/c20-16-19(13-4-1-2-5-14(13)23-16)12-17-7-9-18(10-8-17)25(21,22)15-6-3-11-24-15/h1-6,11H,7-10,12H2/p+1