N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-1-[(5-bromo-2-thienyl)sulfonyl]nipecotamide Formula: C17H25BrN4O4S2 MolecularWeight: 493.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3CCN(CC3)CC(=O)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3CCN(CC3)CC(=O)N

InChI

InChI=1S/C17H25BrN4O4S2/c18-14-3-4-16(27-14)28(25,26)22-7-1-2-12(10-22)17(24)20-13-5-8-21(9-6-13)11-15(19)23/h3-4,12-13H,1-2,5-11H2,(H2,19,23)(H,20,24)