N-(2-acetamidoethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-acetamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carboxamide CAS Name: N-(2-acetamidoethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-acetamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]isonipecotamide Formula: C14H20BrN3O4S2 MolecularWeight: 438.3603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(=O)NCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H20BrN3O4S2/c1-10(19)16-6-7-17-14(20)11-4-8-18(9-5-11)24(21,22)13-3-2-12(15)23-13/h2-3,11H,4-9H2,1H3,(H,16,19)(H,17,20)