6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-propan-2-yl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-propan-2-yl-pyridine-3-sulfonamide Openeye Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-isopropyl-pyridine-3-sulfonamide CAS Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-propan-2-yl-3-pyridinesulfonamide IUPAC Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-propan-2-ylpyridine-3-sulfonamide Traditional Name: 6-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]-N-isopropyl-pyridine-3-sulfonamide Formula: C20H28ClN4O2S+ MolecularWeight: 423.97992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CN=C(C=C1)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CN=C(C=C1)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O2S/c1-16(2)23-28(26,27)19-8-9-20(22-14-19)25-11-3-10-24(12-13-25)15-17-4-6-18(21)7-5-17/h4-9,14,16,23H,3,10-13,15H2,1-2H3/p+1