2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide Formula: C18H28ClN4O3S+ MolecularWeight: 415.95792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H27ClN4O3S/c19-16-6-5-7-17(14-16)20-18(24)15-21-10-12-23(13-11-21)27(25,26)22-8-3-1-2-4-9-22/h5-7,14H,1-4,8-13,15H2,(H,20,24)/p+1