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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O4S/c1-17-6-9-22(30-2)21(14-17)24-23(27)16-25-10-12-26(13-11-25)31(28,29)20-8-7-18-4-3-5-19(18)15-20/h6-9,14-15H,3-5,10-13,16H2,1-2H3,(H,24,27)/p+1