[(1S,2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]methanamine

Systemtic Name: [(1S,2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]methanamine Openeye Name: [(1S,2R,3S)-2-benzyloxy-3-(benzyloxymethyl)-1-(p-tolylsulfonyl)cyclopropyl]methanamine CAS Name: [(1S,2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]methanamine IUPAC Name: [(1S,2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]methanamine Traditional Name: [(1S,2R,3S)-2-benzoxy-3-(benzoxymethyl)-1-tosyl-cyclopropyl]methylamine Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(C(C2OCC3=CC=CC=C3)COCC4=CC=CC=C4)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@]2([C@H]([C@H]2OCC3=CC=CC=C3)COCC4=CC=CC=C4)CN

InChI

InChI=1S/C26H29NO4S/c1-20-12-14-23(15-13-20)32(28,29)26(19-27)24(18-30-16-21-8-4-2-5-9-21)25(26)31-17-22-10-6-3-7-11-22/h2-15,24-25H,16-19,27H2,1H3/t24-,25+,26+/m0/s1