2-[[4-[[4-[5-methyl-2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[[4-[[4-[5-methyl-2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[4-[[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester IUPAC Name: 2-[4-[[4-(2-benzyl-5-methyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester Formula: C30H33N3O6S3 MolecularWeight: 627.79452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

CC1=C(N=C(S1)CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C30H33N3O6S3/c1-23-30(32-29(40-23)21-24-7-5-4-6-8-24)26-11-13-27(14-12-26)31-22-25-9-15-28(16-10-25)33(17-19-38-41(2,34)35)18-20-39-42(3,36)37/h4-16,22H,17-21H2,1-3H3