[(3S)-3-azido-3-[(1R,2S)-2-(diethylcarbamoyl)-2-phenyl-cyclopropyl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-azido-3-[(1R,2S)-2-(diethylcarbamoyl)-2-phenyl-cyclopropyl]propyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-azido-3-[(1R,2S)-2-(diethylcarbamoyl)-2-phenyl-cyclopropyl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-azido-3-[(1R,2S)-2-[diethylamino(oxo)methyl]-2-phenylcyclopropyl]propyl] ester IUPAC Name: [(3S)-3-azido-3-[(1R,2S)-2-(diethylcarbamoyl)-2-phenylcyclopropyl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-azido-3-[(1R,2S)-2-(diethylcarbamoyl)-2-phenyl-cyclopropyl]propyl] ester Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1(CC1C(CCOS(=O)(=O)C2=CC=C(C=C2)C)N=[N+]=[N-])C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)[C@]1(C[C@H]1[C@H](CCOS(=O)(=O)C2=CC=C(C=C2)C)N=[N+]=[N-])C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4S/c1-4-28(5-2)23(29)24(19-9-7-6-8-10-19)17-21(24)22(26-27-25)15-16-32-33(30,31)20-13-11-18(3)12-14-20/h6-14,21-22H,4-5,15-17H2,1-3H3/t21-,22-,24+/m0/s1