[4-(2-hydroxyphenyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-(4-isopentylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(2-hydroxyphenyl)-1-piperazinyl]-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [4-(2-hydroxyphenyl)piperazino]-[4-(isoamylthio)-3-nitro-phenyl]methanone Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S/c1-16(2)9-14-30-21-8-7-17(15-19(21)25(28)29)22(27)24-12-10-23(11-13-24)18-5-3-4-6-20(18)26/h3-8,15-16,26H,9-14H2,1-2H3