N-[4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-(4-indan-2-ylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(2,3-dihydro-1H-inden-2-yl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-(4-indan-2-ylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O3S/c1-16(25)22-19-6-8-21(9-7-19)28(26,27)24-12-10-23(11-13-24)20-14-17-4-2-3-5-18(17)15-20/h2-9,20H,10-15H2,1H3,(H,22,25)/p+1