1-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C17H22N2O4S3 MolecularWeight: 414.56258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N2O4S3/c1-25(20,21)16-7-5-15(6-8-16)14-18-9-3-10-19(12-11-18)26(22,23)17-4-2-13-24-17/h2,4-8,13H,3,9-12,14H2,1H3