(phenylmethyl) N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: benzyl N-[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamate CAS Name: N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamic acid benzyl ester Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5S/c27-22(24-23(28)31-17-18-5-2-1-3-6-18)16-25-11-13-26(14-12-25)32(29,30)21-10-9-19-7-4-8-20(19)15-21/h1-3,5-6,9-10,15H,4,7-8,11-14,16-17H2,(H,24,27,28)/p+1