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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N[C@H]3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-18-5-7-19(8-6-18)14-3-2-12(10-15(14)20(22)23)16(21)17-13-4-9-26(24,25)11-13/h2-3,10,13H,4-9,11H2,1H3,(H,17,21)/t13-/m0/s1