4-[(2-aminocarbonyl-3-methyl-butyl)-sulfino-amino]-1-cyclohexyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]piperazine

Systemtic Name: 4-[(2-aminocarbonyl-3-methyl-butyl)-sulfino-amino]-1-cyclohexyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]piperazine Openeye Name: 4-[(2-carbamoyl-3-methyl-butyl)-sulfino-amino]-1-cyclohexyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]piperazine CAS Name: 4-[(2-carbamoyl-3-methylbutyl)-sulfinoamino]-1-cyclohexyl-2-[2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]piperazine IUPAC Name: 4-[(2-carbamoyl-3-methylbutyl)-sulfinoamino]-1-cyclohexyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]piperazine Traditional Name: 4-[(2-carbamoyl-3-methyl-butyl)-sulfino-amino]-1-cyclohexyl-2-[2-[[(E)-3-phenylacryloyl]amino]phenyl]piperazine Formula: C31H43N5O4S MolecularWeight: 581.76922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN(N1CCN(C(C1)C2=CC=CC=C2NC(=O)C=CC3=CC=CC=C3)C4CCCCC4)S(=O)O)C(=O)N

Isomeric SMILES

CC(C)C(CN(N1CCN(C(C1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=CC=C3)C4CCCCC4)S(=O)O)C(=O)N

InChI

InChI=1S/C31H43N5O4S/c1-23(2)27(31(32)38)21-36(41(39)40)34-19-20-35(25-13-7-4-8-14-25)29(22-34)26-15-9-10-16-28(26)33-30(37)18-17-24-11-5-3-6-12-24/h3,5-6,9-12,15-18,23,25,27,29H,4,7-8,13-14,19-22H2,1-2H3,(H2,32,38)(H,33,37)(H,39,40)/b18-17+