1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[3-(cyclopentoxy)-4-methoxy-benzyl]-4-(4-mesylbenzyl)-1,4-diazepane Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)OC4CCCC4

InChI

InChI=1S/C26H36N2O4S/c1-31-25-13-10-22(18-26(25)32-23-6-3-4-7-23)20-28-15-5-14-27(16-17-28)19-21-8-11-24(12-9-21)33(2,29)30/h8-13,18,23H,3-7,14-17,19-20H2,1-2H3