N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C23H29ClN3O4S+ MolecularWeight: 479.01206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H28ClN3O4S/c1-16-12-21(22(31-2)14-20(16)24)25-23(28)15-26-8-10-27(11-9-26)32(29,30)19-7-6-17-4-3-5-18(17)13-19/h6-7,12-14H,3-5,8-11,15H2,1-2H3,(H,25,28)/p+1