2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylthiophene-3-sulfonamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylthiophene-3-sulfonamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]thiophene-3-sulfonamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-thiophenesulfonamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]thiophene-3-sulfonamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]thiophene-3-sulfonamide Formula: C17H19N4O3S3+ MolecularWeight: 423.55276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CS4)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CS4)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O3S3/c18-27(23,24)14-5-10-25-16(14)17(22)21-8-6-20(7-9-21)11-15-19-12-3-1-2-4-13(12)26-15/h1-5,10H,6-9,11H2,(H2,18,23,24)/p+1