(2S)-1-[4-(4-hydroxyphenyl)carbonylpiperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-[4-(4-hydroxyphenyl)carbonylpiperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: (2S)-1-[4-(4-hydroxybenzoyl)-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: (2S)-1-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperidinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: (2S)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: (2S)-1-[4-(4-hydroxybenzoyl)piperidino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c1-14(29-19-8-4-17(5-9-19)23(27)28)21(26)22-12-10-16(11-13-22)20(25)15-2-6-18(24)7-3-15/h2-9,14,16,24H,10-13H2,1H3/t14-/m0/s1