[2-nitro-5-(3-oxidanylpropylsulfanyl)-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone

Systemtic Name: [2-nitro-5-(3-oxidanylpropylsulfanyl)-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone Openeye Name: [5-(3-hydroxypropylsulfanyl)-2-nitro-4-(1-piperidyl)phenyl]-piperazin-1-yl-methanone CAS Name: [5-(3-hydroxypropylthio)-2-nitro-4-(1-piperidinyl)phenyl]-(1-piperazinyl)methanone IUPAC Name: [5-(3-hydroxypropylsulfanyl)-2-nitro-4-piperidin-1-ylphenyl]-piperazin-1-ylmethanone Traditional Name: [5-(3-hydroxypropylthio)-2-nitro-4-piperidino-phenyl]-piperazino-methanone Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)SCCCO

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)SCCCO

InChI

InChI=1S/C19H28N4O4S/c24-11-4-12-28-18-13-15(19(25)22-9-5-20-6-10-22)16(23(26)27)14-17(18)21-7-2-1-3-8-21/h13-14,20,24H,1-12H2