2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-isopropoxypropyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-isopropoxypropyl)acetamide Formula: C18H29ClN3O4S+ MolecularWeight: 418.95856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H28ClN3O4S/c1-15(2)26-12-4-7-20-18(23)14-21-8-10-22(11-9-21)27(24,25)17-6-3-5-16(19)13-17/h3,5-6,13,15H,4,7-12,14H2,1-2H3,(H,20,23)/p+1