N-[4-methyl-1-oxidanylidene-1-[[(E)-4-oxidanylidene-1-phenyl-6-(phenylsulfonyl)hex-5-en-3-yl]amino]pentan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[[(E)-4-oxidanylidene-1-phenyl-6-(phenylsulfonyl)hex-5-en-3-yl]amino]pentan-2-yl]morpholine-4-carboxamide Openeye Name: N-[1-[[(E)-4-(benzenesulfonyl)-2-oxo-1-phenethyl-but-3-enyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide CAS Name: N-[1-[[(E)-6-(benzenesulfonyl)-4-oxo-1-phenylhex-5-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-[[(E)-6-(benzenesulfonyl)-4-oxo-1-phenylhex-5-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide Traditional Name: N-[1-[[(E)-4-besyl-2-keto-1-phenethyl-but-3-enyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide Formula: C29H37N3O6S MolecularWeight: 555.68558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)C=CS(=O)(=O)C2=CC=CC=C2)NC(=O)N3CCOCC3

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)/C=C/S(=O)(=O)C2=CC=CC=C2)NC(=O)N3CCOCC3

InChI

InChI=1S/C29H37N3O6S/c1-22(2)21-26(31-29(35)32-16-18-38-19-17-32)28(34)30-25(14-13-23-9-5-3-6-10-23)27(33)15-20-39(36,37)24-11-7-4-8-12-24/h3-12,15,20,22,25-26H,13-14,16-19,21H2,1-2H3,(H,30,34)(H,31,35)/b20-15+