1-[(4-methylsulfonylphenyl)methyl]-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(3-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-[(3-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C19H26N2O2S2 MolecularWeight: 378.55194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H26N2O2S2/c1-16-8-13-24-19(16)15-21-10-3-9-20(11-12-21)14-17-4-6-18(7-5-17)25(2,22)23/h4-8,13H,3,9-12,14-15H2,1-2H3