N-[(2S)-4-methyl-1-oxidanylidene-1-[[(E)-5-phenyl-1-(phenylsulfonyl)pent-2-en-3-yl]amino]pentan-2-yl]piperidine-1-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[[(E)-5-phenyl-1-(phenylsulfonyl)pent-2-en-3-yl]amino]pentan-2-yl]piperidine-1-carboxamide Openeye Name: N-[(1S)-1-[[(E)-3-(benzenesulfonyl)-1-phenethyl-prop-1-enyl]carbamoyl]-3-methyl-butyl]piperidine-1-carboxamide CAS Name: N-[(2S)-1-[[(E)-1-(benzenesulfonyl)-5-phenylpent-2-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[[(E)-1-(benzenesulfonyl)-5-phenylpent-2-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]piperidine-1-carboxamide Traditional Name: N-[(1S)-1-[[(E)-3-besyl-1-phenethyl-prop-1-enyl]carbamoyl]-3-methyl-butyl]piperidine-1-carboxamide Formula: C29H39N3O4S MolecularWeight: 525.70266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(=CCS(=O)(=O)C1=CC=CC=C1)CCC2=CC=CC=C2)NC(=O)N3CCCCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N/C(=C/CS(=O)(=O)C1=CC=CC=C1)/CCC2=CC=CC=C2)NC(=O)N3CCCCC3

InChI

InChI=1S/C29H39N3O4S/c1-23(2)22-27(31-29(34)32-19-10-5-11-20-32)28(33)30-25(17-16-24-12-6-3-7-13-24)18-21-37(35,36)26-14-8-4-9-15-26/h3-4,6-9,12-15,18,23,27H,5,10-11,16-17,19-22H2,1-2H3,(H,30,33)(H,31,34)/b25-18+/t27-/m0/s1