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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-16(22(27)23-19-9-8-17-4-2-5-18(17)14-19)24-10-12-25(13-11-24)32(30,31)21-7-3-6-20(15-21)26(28)29/h3,6-9,14-16H,2,4-5,10-13H2,1H3,(H,23,27)/p+1/t16-/m0/s1