N-cyclopropyl-4-methyl-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-methyl-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-4-methyl-3-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-methyl-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-4-methyl-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C25H29N4O3S2+ MolecularWeight: 497.65276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3S2/c1-18-7-10-22(34(31,32)27-20-8-9-20)15-23(18)25(30)29-13-11-28(12-14-29)16-21-17-33-24(26-21)19-5-3-2-4-6-19/h2-7,10,15,17,20,27H,8-9,11-14,16H2,1H3/p+1