3-iodanylsulfonyl-4-phenyl-butanoic acid; 4-methylpiperidine

Systemtic Name: 3-iodanylsulfonyl-4-phenyl-butanoic acid; 4-methylpiperidine Openeye Name: 3-iodosulfonyl-4-phenyl-butanoic acid; 4-methylpiperidine CAS Name: 3-iodosulfonyl-4-phenylbutanoic acid; 4-methylpiperidine IUPAC Name: 3-iodosulfonyl-4-phenylbutanoic acid; 4-methylpiperidine Traditional Name: 3-iodosulfonyl-4-phenyl-butyric acid; 4-pipecoline Formula: C16H24INO4S MolecularWeight: 453.33553

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNCC1.C1=CC=C(C=C1)CC(CC(=O)O)S(=O)(=O)I

Isomeric SMILES

CC1CCNCC1.C1=CC=C(C=C1)CC(CC(=O)O)S(=O)(=O)I

InChI

InChI=1S/C10H11IO4S.C6H13N/c11-16(14,15)9(7-10(12)13)6-8-4-2-1-3-5-8;1-6-2-4-7-5-3-6/h1-5,9H,6-7H2,(H,12,13);6-7H,2-5H2,1H3