2-[[2-(4-cyclohexylpiperazin-1-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfonylamino]-3-methyl-butanamide

Systemtic Name: 2-[[2-(4-cyclohexylpiperazin-1-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfonylamino]-3-methyl-butanamide Openeye Name: 2-[[2-(4-cyclohexylpiperazin-1-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfonylamino]-3-methyl-butanamide CAS Name: 2-[[2-(4-cyclohexyl-1-piperazinyl)-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]sulfonylamino]-3-methylbutanamide IUPAC Name: 2-[[2-(4-cyclohexylpiperazin-1-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfonylamino]-3-methylbutanamide Traditional Name: 2-[[2-(4-cyclohexylpiperazino)-5-[[(E)-3-phenylacryloyl]amino]phenyl]sulfonylamino]-3-methyl-butyramide Formula: C30H41N5O4S MolecularWeight: 567.74264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NS(=O)(=O)C1=C(C=CC(=C1)NC(=O)C=CC2=CC=CC=C2)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC(C)C(C(=O)N)NS(=O)(=O)C1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C30H41N5O4S/c1-22(2)29(30(31)37)33-40(38,39)27-21-24(32-28(36)16-13-23-9-5-3-6-10-23)14-15-26(27)35-19-17-34(18-20-35)25-11-7-4-8-12-25/h3,5-6,9-10,13-16,21-22,25,29,33H,4,7-8,11-12,17-20H2,1-2H3,(H2,31,37)(H,32,36)/b16-13+