3,6-bis[5-chloranyl-1-(2-nitrophenyl)sulfanyl-piperidin-2-yl]piperazine-2,5-dione

Systemtic Name: 3,6-bis[5-chloranyl-1-(2-nitrophenyl)sulfanyl-piperidin-2-yl]piperazine-2,5-dione Openeye Name: 3,6-bis[5-chloro-1-(2-nitrophenyl)sulfanyl-2-piperidyl]piperazine-2,5-dione CAS Name: 3,6-bis[5-chloro-1-[(2-nitrophenyl)thio]-2-piperidinyl]piperazine-2,5-dione IUPAC Name: 3,6-bis[5-chloro-1-(2-nitrophenyl)sulfanylpiperidin-2-yl]piperazine-2,5-dione Traditional Name: 3,6-bis[5-chloro-1-[(2-nitrophenyl)thio]-2-piperidyl]piperazine-2,5-quinone Formula: C26H28Cl2N6O6S2 MolecularWeight: 655.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1Cl)SC2=CC=CC=C2[N+](=O)[O-])C3C(=O)NC(C(=O)N3)C4CCC(CN4SC5=CC=CC=C5[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(N(CC1Cl)SC2=CC=CC=C2[N+](=O)[O-])C3C(=O)NC(C(=O)N3)C4CCC(CN4SC5=CC=CC=C5[N+](=O)[O-])Cl

InChI

InChI=1S/C26H28Cl2N6O6S2/c27-15-9-11-19(31(13-15)41-21-7-3-1-5-17(21)33(37)38)23-25(35)30-24(26(36)29-23)20-12-10-16(28)14-32(20)42-22-8-4-2-6-18(22)34(39)40/h1-8,15-16,19-20,23-24H,9-14H2,(H,29,36)(H,30,35)