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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-naphthyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-naphthyl)acetamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H30N4O3S/c27-22(23-21-10-9-19-7-3-4-8-20(19)17-21)18-24-13-15-26(16-14-24)30(28,29)25-11-5-1-2-6-12-25/h3-4,7-10,17H,1-2,5-6,11-16,18H2,(H,23,27)/p+1