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

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(m-tolyl)propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(m-tolyl)propionamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O3S/c1-17-5-3-8-21(15-17)24-23(27)18(2)25-11-13-26(14-12-25)30(28,29)22-10-9-19-6-4-7-20(19)16-22/h3,5,8-10,15-16,18H,4,6-7,11-14H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1