[1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperidin-4-yl]-morpholin-4-yl-methanone

Systemtic Name: [1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperidin-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-(4-isopentylsulfanyl-3-nitro-benzoyl)-4-piperidyl]-morpholino-methanone CAS Name: [1-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]-(4-morpholinyl)methanone IUPAC Name: [1-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperidin-4-yl]-morpholin-4-ylmethanone Traditional Name: [1-[4-(isoamylthio)-3-nitro-benzoyl]-4-piperidyl]-morpholino-methanone Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O5S/c1-16(2)7-14-31-20-4-3-18(15-19(20)25(28)29)22(27)23-8-5-17(6-9-23)21(26)24-10-12-30-13-11-24/h3-4,15-17H,5-14H2,1-2H3