[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(2-chloro-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(2-chloro-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-phenylpiperazino)methanone Formula: C22H25ClN4O5S MolecularWeight: 492.9757

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN4O5S/c23-20-7-6-19(27(29)30)16-21(20)33(31,32)26-10-8-17(9-11-26)22(28)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2