but-2-ynoxybenzene; 1-[(4-chlorophenyl)methyl]-4-sulfonyl-piperidine-3-carboxylic acid

Systemtic Name: but-2-ynoxybenzene; 1-[(4-chlorophenyl)methyl]-4-sulfonyl-piperidine-3-carboxylic acid Openeye Name: but-2-ynoxybenzene; 1-[(4-chlorophenyl)methyl]-4-sulfonyl-piperidine-3-carboxylic acid CAS Name: but-2-ynoxybenzene; 1-[(4-chlorophenyl)methyl]-4-sulfonyl-3-piperidinecarboxylic acid IUPAC Name: but-2-ynoxybenzene; 1-[(4-chlorophenyl)methyl]-4-sulfonylpiperidine-3-carboxylic acid Traditional Name: but-2-ynoxybenzene; 1-(4-chlorobenzyl)-4-sulfonyl-nipecotic acid Formula: C23H24ClNO5S MolecularWeight: 461.95836

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.C1CN(CC(C1=S(=O)=O)C(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC#CCOC1=CC=CC=C1.C1CN(CC(C1=S(=O)=O)C(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClNO4S.C10H10O/c14-10-3-1-9(2-4-10)7-15-6-5-12(20(18)19)11(8-15)13(16)17;1-2-3-9-11-10-7-5-4-6-8-10/h1-4,11H,5-8H2,(H,16,17);4-8H,9H2,1H3