3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylate; hydron; chloride

Systemtic Name: 3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylate; hydron; chloride Openeye Name: 3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylate; hydron; chloride CAS Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-3-piperidinecarboxylate; hydron; chloride IUPAC Name: 3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylate; hydron; chloride Traditional Name: 3-(4-but-2-ynoxyphenyl)sulfonylnipecotate; hydron; chloride Formula: C16H19ClNO5S- MolecularWeight: 372.84376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCCNC2)C(=O)[O-].[Cl-]

Isomeric SMILES

[H+].CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCCNC2)C(=O)[O-].[Cl-]

InChI

InChI=1S/C16H19NO5S.ClH/c1-2-3-11-22-13-5-7-14(8-6-13)23(20,21)16(15(18)19)9-4-10-17-12-16;/h5-8,17H,4,9-12H2,1H3,(H,18,19);1H/p-1