2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide Traditional Name: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O3S/c29-25(26-14-6-9-21-7-2-1-3-8-21)20-27-15-17-28(18-16-27)32(30,31)24-13-12-22-10-4-5-11-23(22)19-24/h1-5,7-8,10-13,19H,6,9,14-18,20H2,(H,26,29)/p+1