N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C25H25N4O3S2+ MolecularWeight: 493.621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S2/c30-25(19-7-6-8-20(17-19)27-34(31,32)21-9-2-1-3-10-21)29-15-13-28(14-16-29)18-24-26-22-11-4-5-12-23(22)33-24/h1-12,17,27H,13-16,18H2/p+1