(4-methylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H22N2O3S2/c1-25(22,23)17-7-5-15(6-8-17)18(21)20-10-3-9-19(11-12-20)14-16-4-2-13-24-16/h2,4-8,13H,3,9-12,14H2,1H3