1-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 1-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 1-[[1-[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylate IUPAC Name: 1-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[(2S)-3-methyl-2-(tosylamino)butanoyl]isonipecotoyl]amino]cyclohexanecarboxylate Formula: C25H36N3O6S- MolecularWeight: 506.63484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)[O-]

InChI

InChI=1S/C25H37N3O6S/c1-17(2)21(27-35(33,34)20-9-7-18(3)8-10-20)23(30)28-15-11-19(12-16-28)22(29)26-25(24(31)32)13-5-4-6-14-25/h7-10,17,19,21,27H,4-6,11-16H2,1-3H3,(H,26,29)(H,31,32)/p-1/t21-/m0/s1