N-(1,3-benzothiazol-2-yl)-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-methylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Formula: C21H24ClN4O3S2+ MolecularWeight: 480.02326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23ClN4O3S2/c1-3-25-10-12-26(13-11-25)31(28,29)15-8-9-17(22)16(14-15)20(27)24(2)21-23-18-6-4-5-7-19(18)30-21/h4-9,14H,3,10-13H2,1-2H3/p+1