N-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-chlorophenyl)-3-(4-morpholin-4-iumylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C18H19ClN3O4S2+ MolecularWeight: 440.94416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)OC2=S

Isomeric SMILES

C1COCC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)OC2=S

InChI

InChI=1S/C18H18ClN3O4S2/c19-13-1-3-14(4-2-13)20-28(23,24)15-5-6-17-16(11-15)22(18(27)26-17)12-21-7-9-25-10-8-21/h1-6,11,20H,7-10,12H2/p+1