1-[4-[[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-cyclohexyl-methyl]phenyl]sulfonyl-3-cyclohexyl-urea

Systemtic Name: 1-[4-[[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-cyclohexyl-methyl]phenyl]sulfonyl-3-cyclohexyl-urea Openeye Name: 1-[4-[[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-cyclohexyl-methyl]phenyl]sulfonyl-3-cyclohexyl-urea CAS Name: 1-[4-[[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-cyclohexylmethyl]phenyl]sulfonyl-3-cyclohexylurea IUPAC Name: 1-[4-[[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-cyclohexylmethyl]phenyl]sulfonyl-3-cyclohexylurea Traditional Name: 1-[4-[[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-cyclohexyl-methyl]phenyl]sulfonyl-3-cyclohexyl-urea Formula: C27H39N5O4S MolecularWeight: 529.69466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3)NCC(=O)N4CCCC4C#N

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3)NCC(=O)N4CCC[C@H]4C#N

InChI

InChI=1S/C27H39N5O4S/c28-18-23-12-7-17-32(23)25(33)19-29-26(20-8-3-1-4-9-20)21-13-15-24(16-14-21)37(35,36)31-27(34)30-22-10-5-2-6-11-22/h13-16,20,22-23,26,29H,1-12,17,19H2,(H2,30,31,34)/t23-,26?/m0/s1