(2R)-N-(2-azanylethyl)-4-[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[p-anisyl(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pipecolinamide Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H36N4O4S/c1-33-21-8-6-19(7-9-21)17-29(18-22-4-2-14-34-22)20-10-13-30(26(32)24-5-3-15-35-24)23(16-20)25(31)28-12-11-27/h3,5-9,15,20,22-23H,2,4,10-14,16-18,27H2,1H3,(H,28,31)/t20?,22?,23-/m1/s1