1-methylsulfonyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-methylsulfonyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-methylsulfonyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-methylsulfonyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-methylsulfonyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-mesyl-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-1,4-diazepane Formula: C16H25N3O6S3 MolecularWeight: 451.5812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H25N3O6S3/c1-26(20,21)17-11-4-12-19(14-13-17)28(24,25)16-7-5-15(6-8-16)27(22,23)18-9-2-3-10-18/h5-8H,2-4,9-14H2,1H3