N-(2-chlorophenyl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(2-chlorophenyl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-(2-chlorophenyl)-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(2-chlorophenyl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide Traditional Name: N-(2-chlorophenyl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-6-sulfonamide Formula: C19H23ClN4O3S2+2 MolecularWeight: 454.99392

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl)OC2=S

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl)OC2=S

InChI

InChI=1S/C19H21ClN4O3S2/c1-22-8-10-23(11-9-22)13-24-17-7-6-14(12-18(17)27-19(24)28)29(25,26)21-16-5-3-2-4-15(16)20/h2-7,12,21H,8-11,13H2,1H3/p+2