1-(4-methylsulfonylphenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-(4-methylsulfonylphenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-(4-methylsulfonylphenyl)-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylsulfonylphenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylsulfonylphenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-(4-mesylphenyl)-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C16H20N2O4S3 MolecularWeight: 400.536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H20N2O4S3/c1-24(19,20)15-7-5-14(6-8-15)17-9-3-10-18(12-11-17)25(21,22)16-4-2-13-23-16/h2,4-8,13H,3,9-12H2,1H3