3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-5-(propanoylamino)phenyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-5-(propanoylamino)phenyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-5-(propanoylamino)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-methyl-5-(1-oxopropylamino)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-5-(propanoylamino)phenyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-5-propionamido-phenyl)propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S/c1-3-24(29)26-21-12-8-19(2)23(18-21)27-25(30)15-11-20-9-13-22(14-10-20)33(31,32)28-16-6-4-5-7-17-28/h8-10,12-14,18H,3-7,11,15-17H2,1-2H3,(H,26,29)(H,27,30)