N-[4-(5-cyclohexyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]piperazine-1-carboxamide Openeye Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)thiazol-2-yl]-4-[[(3S)-1-cyclopropylsulfonyl-3-piperidyl]methyl]piperazine-1-carboxamide CAS Name: N-[4-(5-cyclohexyl-2-methoxyphenyl)-2-thiazolyl]-4-[[(3S)-1-cyclopropylsulfonyl-3-piperidinyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]piperazine-1-carboxamide Traditional Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)thiazol-2-yl]-4-[[(3S)-1-cyclopropylsulfonyl-3-piperidyl]methyl]piperazine-1-carboxamide Formula: C30H43N5O4S2 MolecularWeight: 601.82352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2)C3=CSC(=N3)NC(=O)N4CCN(CC4)CC5CCCN(C5)S(=O)(=O)C6CC6

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCCC2)C3=CSC(=N3)NC(=O)N4CCN(CC4)C[C@@H]5CCCN(C5)S(=O)(=O)C6CC6

InChI

InChI=1S/C30H43N5O4S2/c1-39-28-12-9-24(23-7-3-2-4-8-23)18-26(28)27-21-40-29(31-27)32-30(36)34-16-14-33(15-17-34)19-22-6-5-13-35(20-22)41(37,38)25-10-11-25/h9,12,18,21-23,25H,2-8,10-11,13-17,19-20H2,1H3,(H,31,32,36)/t22-/m0/s1