[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C22H25ClN4O5S MolecularWeight: 492.9757

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O5S/c1-2-33(31,32)26-15-17-6-4-3-5-16(17)13-21(26)22(28)25-11-9-24(10-12-25)19-8-7-18(23)14-20(19)27(29)30/h3-8,14,21H,2,9-13,15H2,1H3