[4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-(3-methyl-1-piperidyl)methanone CAS Name: [4-[(4-methoxyphenyl)thio]-3-nitrophenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [4-(4-methoxyphenyl)sulfanyl-3-nitrophenyl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [4-[(4-methoxyphenyl)thio]-3-nitro-phenyl]-(3-methylpiperidino)methanone Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-14-4-3-11-21(13-14)20(23)15-5-10-19(18(12-15)22(24)25)27-17-8-6-16(26-2)7-9-17/h5-10,12,14H,3-4,11,13H2,1-2H3