N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2,3-dihydro-1H-indene-5-sulfonamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]indane-5-sulfonamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]indane-5-sulfonamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NS(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NS(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H28N2O3S/c1-17-5-7-19(8-6-17)22(16-24-11-13-27-14-12-24)23-28(25,26)21-10-9-18-3-2-4-20(18)15-21/h5-10,15,22-23H,2-4,11-14,16H2,1H3/p+1/t22-/m0/s1