7-(methoxymethyl)-1-methylsulfonyl-4,4-bis(phenylmethoxymethyl)-3,5-dihydro-2H-azepine

Systemtic Name: 7-(methoxymethyl)-1-methylsulfonyl-4,4-bis(phenylmethoxymethyl)-3,5-dihydro-2H-azepine Openeye Name: 4,4-bis(benzyloxymethyl)-7-(methoxymethyl)-1-methylsulfonyl-3,5-dihydro-2H-azepine CAS Name: 7-(methoxymethyl)-1-methylsulfonyl-4,4-bis(phenylmethoxymethyl)-3,5-dihydro-2H-azepine IUPAC Name: 7-(methoxymethyl)-1-methylsulfonyl-4,4-bis(phenylmethoxymethyl)-3,5-dihydro-2H-azepine Traditional Name: 4,4-bis(benzoxymethyl)-1-mesyl-7-(methoxymethyl)-3,5-dihydro-2H-azepine Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CCC(CCN1S(=O)(=O)C)(COCC2=CC=CC=C2)COCC3=CC=CC=C3

Isomeric SMILES

COCC1=CCC(CCN1S(=O)(=O)C)(COCC2=CC=CC=C2)COCC3=CC=CC=C3

InChI

InChI=1S/C25H33NO5S/c1-29-19-24-13-14-25(15-16-26(24)32(2,27)28,20-30-17-22-9-5-3-6-10-22)21-31-18-23-11-7-4-8-12-23/h3-13H,14-21H2,1-2H3