3-[4-(hexadecylamino)phenyl]-N-(phenylsulfonyl)propanamide

Systemtic Name: 3-[4-(hexadecylamino)phenyl]-N-(phenylsulfonyl)propanamide Openeye Name: N-(benzenesulfonyl)-3-[4-(hexadecylamino)phenyl]propanamide CAS Name: N-(benzenesulfonyl)-3-[4-(hexadecylamino)phenyl]propanamide IUPAC Name: N-(benzenesulfonyl)-3-[4-(hexadecylamino)phenyl]propanamide Traditional Name: N-besyl-3-[4-(cetylamino)phenyl]propionamide Formula: C31H48N2O3S MolecularWeight: 528.78942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C31H48N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-32-29-24-21-28(22-25-29)23-26-31(34)33-37(35,36)30-19-16-15-17-20-30/h15-17,19-22,24-25,32H,2-14,18,23,26-27H2,1H3,(H,33,34)