N-(2-chlorophenyl)-3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[(4-acetyl-1-piperazin-1-iumyl)methyl]-N-(2-chlorophenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C20H22ClN4O4S2+ MolecularWeight: 481.99608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4Cl)OC2=S

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4Cl)OC2=S

InChI

InChI=1S/C20H21ClN4O4S2/c1-14(26)24-10-8-23(9-11-24)13-25-18-12-15(6-7-19(18)29-20(25)30)31(27,28)22-17-5-3-2-4-16(17)21/h2-7,12,22H,8-11,13H2,1H3/p+1