(2R)-2-(4-nitrophenyl)sulfanyl-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propan-1-one Openeye Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)-1-piperidyl]propan-1-one CAS Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one Traditional Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(piperidine-1-carbonyl)piperidino]propan-1-one Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)C(=O)N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4S/c1-15(28-18-7-5-17(6-8-18)23(26)27)19(24)22-13-9-16(10-14-22)20(25)21-11-3-2-4-12-21/h5-8,15-16H,2-4,9-14H2,1H3/t15-/m1/s1