(2R)-N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methyl-2-thienyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methyl-2-thiophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methyl-2-thienyl)methyl]amino]-1-nicotinoyl-pipecolinamide Formula: C27H39N5O3S MolecularWeight: 513.69526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCOC)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)CN(CCOC)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H39N5O3S/c1-19-5-10-24(36-19)18-31(14-15-35-2)23-11-13-32(27(34)20-4-3-12-29-17-20)25(16-23)26(33)30-22-8-6-21(28)7-9-22/h3-5,10,12,17,21-23,25H,6-9,11,13-16,18,28H2,1-2H3,(H,30,33)/t21?,22?,23?,25-/m1/s1