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

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-propanamide CAS Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-propionamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H27N3O3S/c1-17(22(26)23-20-8-3-2-4-9-20)24-12-14-25(15-13-24)29(27,28)21-11-10-18-6-5-7-19(18)16-21/h2-4,8-11,16-17H,5-7,12-15H2,1H3,(H,23,26)/p+1/t17-/m1/s1