N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-fluorobenzyl)carbamoylamino]acetamide Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN4O4S/c23-18-10-8-17(9-11-18)15-24-22(29)25-16-21(28)26-19-6-5-7-20(14-19)32(30,31)27-12-3-1-2-4-13-27/h5-11,14H,1-4,12-13,15-16H2,(H,26,28)(H2,24,25,29)