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

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C24H35ClN3O3S+ MolecularWeight: 481.071

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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)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34ClN3O3S/c1-2-27-5-7-28(8-6-27)32(30,31)20-3-4-22(25)21(12-20)23(29)26-16-24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,12,17-19H,2,5-11,13-16H2,1H3,(H,26,29)/p+1