2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]-N-methyl-benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]-N-methyl-benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]-N-methyl-benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-m-anisyl-N-methyl-benzamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28ClN3O4S/c1-4-25-10-12-26(13-11-25)31(28,29)19-8-9-21(23)20(15-19)22(27)24(2)16-17-6-5-7-18(14-17)30-3/h5-9,14-15H,4,10-13,16H2,1-3H3/p+1