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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-19(2)25(30)27-22-12-10-21(11-13-22)26-24(29)16-9-20-7-14-23(15-8-20)33(31,32)28-17-5-3-4-6-18-28/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,26,29)(H,27,30)