N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitrobenzamide Traditional Name: N-benzyl-4-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-3-nitro-benzamide Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c19-16-7-6-14(10-17(16)21(23)24)18(22)20(11-13-4-2-1-3-5-13)15-8-9-27(25,26)12-15/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1