3-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanyl-pentan-1-one

Systemtic Name: 3-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanyl-pentan-1-one Openeye Name: 3-hydroxy-3-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]pentan-1-one CAS Name: 3-hydroxy-3-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 3-hydroxy-3-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 3-hydroxy-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-3-methyl-pentan-1-one Formula: C19H30N2O4S MolecularWeight: 382.5175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)O

Isomeric SMILES

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)O

InChI

InChI=1S/C19H30N2O4S/c1-4-19(2,23)14-18(22)21-11-5-10-20(12-13-21)15-16-6-8-17(9-7-16)26(3,24)25/h6-9,23H,4-5,10-15H2,1-3H3