2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one Openeye Name: 1-(3-hydroxy-1-piperidyl)-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(3-hydroxy-1-piperidinyl)-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-(3-hydroxypiperidin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(3-hydroxypiperidino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCC(C3)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCC(C3)O)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O4S/c1-15(2)19-8-4-5-9-21(19)30-22-11-10-17(13-20(22)25(28)29)16(3)23(27)24-12-6-7-18(26)14-24/h4-5,8-11,13,15,18,26H,3,6-7,12,14H2,1-2H3