N-[1-[[(E)-7-azanyl-1-(phenylsulfonyl)hept-1-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[1-[[(E)-7-azanyl-1-(phenylsulfonyl)hept-1-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[2-[[5-amino-1-[(E)-2-(benzenesulfonyl)vinyl]pentyl]amino]-1-benzyl-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-[[(E)-7-amino-1-(benzenesulfonyl)hept-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-[[(E)-7-amino-1-(benzenesulfonyl)hept-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[2-[[(E)-1-(4-aminobutyl)-3-besyl-allyl]amino]-1-benzyl-2-keto-ethyl]morpholine-4-carboxamide Formula: C27H36N4O5S MolecularWeight: 528.66354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C=CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCCN1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)/C=C/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H36N4O5S/c28-15-8-7-11-23(14-20-37(34,35)24-12-5-2-6-13-24)29-26(32)25(21-22-9-3-1-4-10-22)30-27(33)31-16-18-36-19-17-31/h1-6,9-10,12-14,20,23,25H,7-8,11,15-19,21,28H2,(H,29,32)(H,30,33)/b20-14+