(4S,4aS,9aR)-4-methoxy-4a-nitro-9-(phenylsulfonyl)-1,3,4,9a-tetrahydrocarbazol-2-one

Systemtic Name: (4S,4aS,9aR)-4-methoxy-4a-nitro-9-(phenylsulfonyl)-1,3,4,9a-tetrahydrocarbazol-2-one Openeye Name: (4S,4aS,9aR)-9-(benzenesulfonyl)-4-methoxy-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one CAS Name: (4S,4aS,9aR)-9-(benzenesulfonyl)-4-methoxy-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one IUPAC Name: (4S,4aS,9aR)-9-(benzenesulfonyl)-4-methoxy-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one Traditional Name: (4S,4aS,9aR)-9-besyl-4-methoxy-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=O)CC2C1(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CO[C@H]1CC(=O)C[C@@H]2[C@]1(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6S/c1-27-18-12-13(22)11-17-19(18,21(23)24)15-9-5-6-10-16(15)20(17)28(25,26)14-7-3-2-4-8-14/h2-10,17-18H,11-12H2,1H3/t17-,18+,19+/m1/s1