N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C20H26N5O4S2+ MolecularWeight: 464.58154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N5O4S2/c1-14-20(15(2)29-23-14)31(27,28)21-8-7-19(26)25-11-9-24(10-12-25)13-18-22-16-5-3-4-6-17(16)30-18/h3-6,21H,7-13H2,1-2H3/p+1