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

Systemtic Name: (2S)-N-cyclopentyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopentyl-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-cyclopentyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopentyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopentyl-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H31N3O3S/c1-16(21(25)22-19-7-2-3-8-19)23-11-13-24(14-12-23)28(26,27)20-10-9-17-5-4-6-18(17)15-20/h9-10,15-16,19H,2-8,11-14H2,1H3,(H,22,25)/p+1/t16-/m0/s1