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

Systemtic Name: 2-chloranyl-N-ethyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-chloro-N-ethyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-ethyl-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-chloro-N-ethyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-benzyl-2-chloro-N-ethyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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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(CC)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-3-24-12-14-26(15-13-24)30(28,29)19-10-11-21(23)20(16-19)22(27)25(4-2)17-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3/p+1