2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethyl-N-(phenylmethyl)benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethyl-benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-phenethyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethylbenzamide Traditional Name: N-benzyl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethyl-benzamide Formula: C28H33ClN3O3S+ MolecularWeight: 527.09792

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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(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32ClN3O3S/c1-2-30-17-19-32(20-18-30)36(34,35)25-13-14-27(29)26(21-25)28(33)31(22-24-11-7-4-8-12-24)16-15-23-9-5-3-6-10-23/h3-14,21H,2,15-20,22H2,1H3/p+1