[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(2S)-2,3-dihydrobenzofuran-2-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [(2S)-2,3-dihydrobenzofuran-2-yl]-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(2S)-coumaran-2-yl]-(4-nosylpiperazino)methanone Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c23-19(18-13-14-3-1-2-4-17(14)28-18)20-9-11-21(12-10-20)29(26,27)16-7-5-15(6-8-16)22(24)25/h1-8,18H,9-13H2/t18-/m0/s1