[4-(4-bromophenyl)-1-chloranyl-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-(4-bromophenyl)-1-chloranyl-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl]-morpholin-4-yl-methanone Openeye Name: [4-(4-bromophenyl)-1-chloro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl]-morpholino-methanone CAS Name: [4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)thio]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-bromophenyl)-1-chloro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone Traditional Name: [4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)thio]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl]-morpholino-methanone Formula: C29H27BrClN3O4S MolecularWeight: 628.96438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C3C(=CC=C2)C4C(CC(C4Cl)SC5=CC=CC=C5[N+](=O)[O-])C(N3)C6=CC=C(C=C6)Br

Isomeric SMILES

C1COCCN1C(=O)C2=C3C(=CC=C2)C4C(CC(C4Cl)SC5=CC=CC=C5[N+](=O)[O-])C(N3)C6=CC=C(C=C6)Br

InChI

InChI=1S/C29H27BrClN3O4S/c30-18-10-8-17(9-11-18)27-21-16-24(39-23-7-2-1-6-22(23)34(36)37)26(31)25(21)19-4-3-5-20(28(19)32-27)29(35)33-12-14-38-15-13-33/h1-11,21,24-27,32H,12-16H2