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

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)propionamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-17(23(27)24-20-7-9-21(30-2)10-8-20)25-12-14-26(15-13-25)31(28,29)22-11-6-18-4-3-5-19(18)16-22/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1