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

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(2-nitrophenyl)propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(2-nitrophenyl)propionamide Formula: C22H27N4O5S+ MolecularWeight: 459.53858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-16(22(27)23-20-7-2-3-8-21(20)26(28)29)24-11-13-25(14-12-24)32(30,31)19-10-9-17-5-4-6-18(17)15-19/h2-3,7-10,15-16H,4-6,11-14H2,1H3,(H,23,27)/p+1/t16-/m0/s1