(phenylmethyl) N-chloranylsulfonyl-N-[(1R,2S)-1-(4-methoxyphenyl)-2-phenylmethoxy-but-3-enyl]carbamate

Systemtic Name: (phenylmethyl) N-chloranylsulfonyl-N-[(1R,2S)-1-(4-methoxyphenyl)-2-phenylmethoxy-but-3-enyl]carbamate Openeye Name: benzyl N-[(1R,2S)-2-benzyloxy-1-(4-methoxyphenyl)but-3-enyl]-N-chlorosulfonyl-carbamate CAS Name: N-chlorosulfonyl-N-[(1R,2S)-1-(4-methoxyphenyl)-2-phenylmethoxybut-3-enyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-chlorosulfonyl-N-[(1R,2S)-1-(4-methoxyphenyl)-2-phenylmethoxybut-3-enyl]carbamate Traditional Name: N-[(1R,2S)-2-benzoxy-1-(4-methoxyphenyl)but-3-enyl]-N-chlorosulfonyl-carbamic acid benzyl ester Formula: C26H26ClNO6S MolecularWeight: 516.00574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C=C)OCC2=CC=CC=C2)N(C(=O)OCC3=CC=CC=C3)S(=O)(=O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]([C@H](C=C)OCC2=CC=CC=C2)N(C(=O)OCC3=CC=CC=C3)S(=O)(=O)Cl

InChI

InChI=1S/C26H26ClNO6S/c1-3-24(33-18-20-10-6-4-7-11-20)25(22-14-16-23(32-2)17-15-22)28(35(27,30)31)26(29)34-19-21-12-8-5-9-13-21/h3-17,24-25H,1,18-19H2,2H3/t24-,25+/m0/s1