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

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-methylbenzamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methylbenzamide Traditional Name: N-(4-tert-butylbenzyl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Formula: C25H35ClN3O3S+ MolecularWeight: 493.0817

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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=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O3S/c1-6-28-13-15-29(16-14-28)33(31,32)21-11-12-23(26)22(17-21)24(30)27(5)18-19-7-9-20(10-8-19)25(2,3)4/h7-12,17H,6,13-16,18H2,1-5H3/p+1