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

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C16H23BrN4O4S2 MolecularWeight: 479.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN4O4S2/c17-13-3-4-15(26-13)27(24,25)21-7-1-2-12(21)16(23)19-11-5-8-20(9-6-11)10-14(18)22/h3-4,11-12H,1-2,5-10H2,(H2,18,22)(H,19,23)