3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-N-propyl-benzenesulfonamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-N-propyl-benzenesulfonamide Openeye Name: N-propyl-3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-N-propylbenzenesulfonamide IUPAC Name: 3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-N-propylbenzenesulfonamide Traditional Name: N-propyl-3-(4-tosyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3O5S2/c1-3-12-23-31(27,28)21-7-4-6-19(17-21)22(26)24-13-5-14-25(16-15-24)32(29,30)20-10-8-18(2)9-11-20/h4,6-11,17,23H,3,5,12-16H2,1-2H3