propan-2-yl (1R,3S)-3-azido-1-(4-tert-butylphenyl)pentane-1-sulfonate

Systemtic Name: propan-2-yl (1R,3S)-3-azido-1-(4-tert-butylphenyl)pentane-1-sulfonate Openeye Name: isopropyl (1R,3S)-3-azido-1-(4-tert-butylphenyl)pentane-1-sulfonate CAS Name: (1R,3S)-3-azido-1-(4-tert-butylphenyl)-1-pentanesulfonic acid IUPAC Name: propan-2-yl (1R,3S)-3-azido-1-(4-tert-butylphenyl)pentane-1-sulfonate Traditional Name: (1R,3S)-3-azido-1-(4-tert-butylphenyl)pentane-1-sulfonic acid isopropyl ester Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C1=CC=C(C=C1)C(C)(C)C)S(=O)(=O)OC(C)C)N=[N+]=[N-]

Isomeric SMILES

CC[C@@H](C[C@H](C1=CC=C(C=C1)C(C)(C)C)S(=O)(=O)OC(C)C)N=[N+]=[N-]

InChI

InChI=1S/C18H29N3O3S/c1-7-16(20-21-19)12-17(25(22,23)24-13(2)3)14-8-10-15(11-9-14)18(4,5)6/h8-11,13,16-17H,7,12H2,1-6H3/t16-,17+/m0/s1