2,4-bis(chloranyl)-N-cyclopropyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2,4-bis(chloranyl)-N-cyclopropyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2,4-dichloro-N-cyclopropyl-5-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2,4-dichloro-N-cyclopropyl-5-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2,4-dichloro-N-cyclopropyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2,4-dichloro-N-cyclopropyl-5-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C19H22Cl2N3O3S2+ MolecularWeight: 475.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)Cl)Cl

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O3S2/c20-16-10-17(21)18(29(26,27)22-14-1-2-14)9-15(16)19(25)24-6-4-23(5-7-24)11-13-3-8-28-12-13/h3,8-10,12,14,22H,1-2,4-7,11H2/p+1