5-chloranyl-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-thiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: 5-chloro-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-methyl-thiophene-2-sulfonamide CAS Name: 5-chloro-N-[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: 5-chloro-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide Traditional Name: 5-chloro-N-[2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C19H22ClN4O3S2+ MolecularWeight: 453.98598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H21ClN4O3S2/c1-22(29(26,27)19-7-6-17(20)28-19)14-18(25)24-10-8-23(9-11-24)13-16-4-2-15(12-21)3-5-16/h2-7H,8-11,13-14H2,1H3/p+1