methyl 4-[[1-[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]-1-oxidanyl-pentan-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[1-[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]-1-oxidanyl-pentan-2-yl]amino]benzoate Openeye Name: methyl 4-[1-[[4-benzyloxy-3-(methylsulfonylmethyl)phenyl]-hydroxy-methyl]butylamino]benzoate CAS Name: 4-[[1-hydroxy-1-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]pentan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-hydroxy-1-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]pentan-2-yl]amino]benzoate Traditional Name: 4-[1-[[4-benzoxy-3-(mesylmethyl)phenyl]-hydroxy-methyl]butylamino]benzoic acid methyl ester Formula: C28H33NO6S MolecularWeight: 511.62972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)CS(=O)(=O)C)O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)CS(=O)(=O)C)O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H33NO6S/c1-4-8-25(29-24-14-11-21(12-15-24)28(31)34-2)27(30)22-13-16-26(23(17-22)19-36(3,32)33)35-18-20-9-6-5-7-10-20/h5-7,9-17,25,27,29-30H,4,8,18-19H2,1-3H3