4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Openeye Name: 4-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Traditional Name: 4-[[4-(4-methylbenzyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H25N3O4S2/c1-16-3-5-17(6-4-16)15-21-11-2-12-22(14-13-21)28(25,26)19-9-7-18(8-10-19)27(20,23)24/h3-10H,2,11-15H2,1H3,(H2,20,23,24)