2-[(3-morpholin-4-ylcarbonyl-4-phenyl-phenyl)amino]-N-[(E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]propanamide

Systemtic Name: 2-[(3-morpholin-4-ylcarbonyl-4-phenyl-phenyl)amino]-N-[(E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]propanamide Openeye Name: N-[(E)-3-(benzenesulfonyl)-1-phenethyl-allyl]-2-[3-(morpholine-4-carbonyl)-4-phenyl-anilino]propanamide CAS Name: N-[(E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-2-[3-[4-morpholinyl(oxo)methyl]-4-phenylanilino]propanamide IUPAC Name: N-[(E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-2-[3-(morpholine-4-carbonyl)-4-phenylanilino]propanamide Traditional Name: N-[(E)-3-besyl-1-phenethyl-allyl]-2-[3-(morpholine-4-carbonyl)-4-phenyl-anilino]propionamide Formula: C37H39N3O5S MolecularWeight: 637.78766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC1=CC=CC=C1)C=CS(=O)(=O)C2=CC=CC=C2)NC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)N5CCOCC5

Isomeric SMILES

CC(C(=O)NC(CCC1=CC=CC=C1)/C=C/S(=O)(=O)C2=CC=CC=C2)NC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)N5CCOCC5

InChI

InChI=1S/C37H39N3O5S/c1-28(38-32-19-20-34(30-13-7-3-8-14-30)35(27-32)37(42)40-22-24-45-25-23-40)36(41)39-31(18-17-29-11-5-2-6-12-29)21-26-46(43,44)33-15-9-4-10-16-33/h2-16,19-21,26-28,31,38H,17-18,22-25H2,1H3,(H,39,41)/b26-21+