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

Systemtic Name: N-[4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide Openeye Name: N-[4-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]-N-phenyl-acetamide CAS Name: N-[4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]-N-phenylacetamide IUPAC Name: N-[4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide Traditional Name: N-[4-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]-N-phenyl-acetamide Formula: C25H29N4O3S2+ MolecularWeight: 497.65276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C25H28N4O3S2/c1-19(30)29(23-8-3-2-4-9-23)25-26-22(18-33-25)17-27-12-14-28(15-13-27)34(31,32)24-11-10-20-6-5-7-21(20)16-24/h2-4,8-11,16,18H,5-7,12-15,17H2,1H3/p+1