N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2-cyanophenyl)sulfonylamino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2-cyanophenyl)sulfonylamino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H24N4O5S2/c22-15-17-8-3-4-11-20(17)31(27,28)23-16-21(26)24-18-9-7-10-19(14-18)32(29,30)25-12-5-1-2-6-13-25/h3-4,7-11,14,23H,1-2,5-6,12-13,16H2,(H,24,26)