N-pentan-3-yl-2-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-pentan-3-yl-2-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-(benzenesulfonamido)-1-piperidin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H29N3O3S/c1-3-15(4-2)19-18(22)14-21-12-10-16(11-13-21)20-25(23,24)17-8-6-5-7-9-17/h5-9,15-16,20H,3-4,10-14H2,1-2H3,(H,19,22)/p+1