N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[[(1S)-2-methyl-1-thiophen-2-yl-propyl]amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[[(1S)-2-methyl-1-thiophen-2-yl-propyl]amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]acetamide Formula: C22H30ClN3O3S2 MolecularWeight: 484.0749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC(C)[C@@H](C1=CC=CS1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H30ClN3O3S2/c1-16(2)22(20-8-7-13-30-20)24-15-21(27)25-19-14-17(9-10-18(19)23)31(28,29)26-11-5-3-4-6-12-26/h7-10,13-14,16,22,24H,3-6,11-12,15H2,1-2H3,(H,25,27)/t22-/m0/s1