ethyl 1-[4-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoyl]piperidine-3-carboxylate CAS Name: 1-[4-[3-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoyl]nipecotic acid ethyl ester Formula: C40H47N3O7S MolecularWeight: 713.88208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCOC2=CC=CC(=C2)OC3=CC=C(C=C3)CN(CC4=CC=CC=C4)C5=CC=CC(=C5C)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCOC2=CC=CC(=C2)OC3=CC=C(C=C3)CN(CC4=CC=CC=C4)C5=CC=CC(=C5C)NS(=O)(=O)C

InChI

InChI=1S/C40H47N3O7S/c1-4-48-40(45)33-14-10-24-42(29-33)39(44)19-11-25-49-35-15-8-16-36(26-35)50-34-22-20-32(21-23-34)28-43(27-31-12-6-5-7-13-31)38-18-9-17-37(30(38)2)41-51(3,46)47/h5-9,12-13,15-18,20-23,26,33,41H,4,10-11,14,19,24-25,27-29H2,1-3H3