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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-benzyl-N-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-4-nitro-benzamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N(CC2=CC=CC=C2)[C@H]3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-14-11-16(7-8-18(14)21(23)24)19(22)20(12-15-5-3-2-4-6-15)17-9-10-27(25,26)13-17/h2-8,11,17H,9-10,12-13H2,1H3/t17-/m0/s1