2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(4-fluorophenyl)-(2-thienyl)methyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[(4-fluorophenyl)-(2-thienyl)methyl]acetamide Formula: C23H31FN4O3S2 MolecularWeight: 494.645643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C23H31FN4O3S2/c24-20-9-7-19(8-10-20)23(21-6-5-17-32-21)25-22(29)18-26-13-15-28(16-14-26)33(30,31)27-11-3-1-2-4-12-27/h5-10,17,23H,1-4,11-16,18H2,(H,25,29)