4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-N-cyclopropyl-benzenesulfonamide

Systemtic Name: 4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-N-cyclopropyl-benzenesulfonamide Openeye Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-N-cyclopropyl-benzenesulfonamide CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-N-cyclopropylbenzenesulfonamide IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-N-cyclopropylbenzenesulfonamide Traditional Name: 4-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-carbonyl]-N-cyclopropyl-benzenesulfonamide Formula: C22H27ClN3O3S+ MolecularWeight: 448.98608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O3S/c23-19-6-2-17(3-7-19)16-25-12-1-13-26(15-14-25)22(27)18-4-10-21(11-5-18)30(28,29)24-20-8-9-20/h2-7,10-11,20,24H,1,8-9,12-16H2/p+1