N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H23N4O4S2+ MolecularWeight: 447.55102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C20H22N4O4S2/c1-23-8-10-24(11-9-23)30(26,27)16-5-3-4-14(12-16)19(25)22-20-21-17-7-6-15(28-2)13-18(17)29-20/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,25)/p+1