2-(4-nitrophenyl)sulfanyl-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(2-phenoxyethyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(2-phenoxyethyl)piperazino]propan-1-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCOC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCOC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-17(29-20-9-7-18(8-10-20)24(26)27)21(25)23-13-11-22(12-14-23)15-16-28-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3