[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(3,5-dimethylpiperidin-1-yl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(3,5-dimethylpiperidin-1-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(3,5-dimethyl-1-piperidyl)methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-(3,5-dimethyl-1-piperidinyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-(3,5-dimethylpiperidin-1-yl)methanone Traditional Name: [4-[(4-bromophenyl)thio]-3-nitro-phenyl]-(3,5-dimethylpiperidino)methanone Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-])C

InChI

InChI=1S/C20H21BrN2O3S/c1-13-9-14(2)12-22(11-13)20(24)15-3-8-19(18(10-15)23(25)26)27-17-6-4-16(21)5-7-17/h3-8,10,13-14H,9,11-12H2,1-2H3