[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(2-ethylpiperidin-1-yl)methanone

Systemtic Name: [4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(2-ethylpiperidin-1-yl)methanone Openeye Name: [4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(2-ethyl-1-piperidyl)methanone CAS Name: [4-[(3-chlorophenyl)thio]-3-nitrophenyl]-(2-ethyl-1-piperidinyl)methanone IUPAC Name: [4-(3-chlorophenyl)sulfanyl-3-nitrophenyl]-(2-ethylpiperidin-1-yl)methanone Traditional Name: [4-[(3-chlorophenyl)thio]-3-nitro-phenyl]-(2-ethylpiperidino)methanone Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O3S/c1-2-16-7-3-4-11-22(16)20(24)14-9-10-19(18(12-14)23(25)26)27-17-8-5-6-15(21)13-17/h5-6,8-10,12-13,16H,2-4,7,11H2,1H3