2-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN4O4S/c24-17-7-8-19(20(15-17)28(31)32)25-11-13-27(14-12-25)23(30)18-5-1-2-6-21(18)33-16-22(29)26-9-3-4-10-26/h1-2,5-8,15H,3-4,9-14,16H2