N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(p-phenetylsulfonylamino)propionamide Formula: C23H31N3O6S2 MolecularWeight: 509.63874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O6S2/c1-2-32-20-10-12-21(13-11-20)33(28,29)24-15-14-23(27)25-19-8-7-9-22(18-19)34(30,31)26-16-5-3-4-6-17-26/h7-13,18,24H,2-6,14-17H2,1H3,(H,25,27)