4-[(4-methylsulfonylphenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylbenzyl)-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-28(25,26)19-7-5-17(6-8-19)16-22-11-3-12-23(14-13-22)20(24)21-10-9-18-4-2-15-27-18/h2,4-8,15H,3,9-14,16H2,1H3,(H,21,24)