N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3S/c1-17(2)18-8-10-20(11-9-18)27(24,25)22-21(19-6-4-3-5-7-19)16-23-12-14-26-15-13-23/h3-11,17,21-22H,12-16H2,1-2H3/p+1/t21-/m1/s1