N-[(2S)-4-methyl-1-oxidanylidene-1-[[(E)-1-phenyl-4-(phenylsulfonyl)but-2-en-2-yl]amino]pentan-2-yl]benzamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[[(E)-1-phenyl-4-(phenylsulfonyl)but-2-en-2-yl]amino]pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[(E)-3-(benzenesulfonyl)-1-benzyl-prop-1-enyl]carbamoyl]-3-methyl-butyl]benzamide CAS Name: N-[(2S)-1-[[(E)-4-(benzenesulfonyl)-1-phenylbut-2-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[(E)-4-(benzenesulfonyl)-1-phenylbut-2-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[(E)-1-benzyl-3-besyl-prop-1-enyl]carbamoyl]-3-methyl-butyl]benzamide Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(=CCS(=O)(=O)C1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N/C(=C/CS(=O)(=O)C1=CC=CC=C1)/CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4S/c1-22(2)20-27(31-28(32)24-14-8-4-9-15-24)29(33)30-25(21-23-12-6-3-7-13-23)18-19-36(34,35)26-16-10-5-11-17-26/h3-18,22,27H,19-21H2,1-2H3,(H,30,33)(H,31,32)/b25-18+/t27-/m0/s1