N-[[5-[4-(3-bicyclo[2.2.1]heptanylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chloranyl-benzamide

Systemtic Name: N-[[5-[4-(3-bicyclo[2.2.1]heptanylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chloranyl-benzamide Openeye Name: 4-chloro-N-[[5-[4-(norbornan-2-ylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: N-[[5-[[4-(3-bicyclo[2.2.1]heptanylamino)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]-4-chlorobenzamide IUPAC Name: N-[[5-[4-(3-bicyclo[2.2.1]heptanylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide Traditional Name: 4-chloro-N-[[5-[4-(2-norbornylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide Formula: C25H32ClN3O3S2 MolecularWeight: 522.12288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)Cl)NC4CC5CCC4C5

Isomeric SMILES

C1CC(CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)Cl)NC4CC5CCC4C5

InChI

InChI=1S/C25H32ClN3O3S2/c26-20-7-5-18(6-8-20)25(30)27-16-22-9-10-24(33-22)34(31,32)29-12-1-2-21(11-13-29)28-23-15-17-3-4-19(23)14-17/h5-10,17,19,21,23,28H,1-4,11-16H2,(H,27,30)