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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)C3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-18-6-8-20(9-7-18)15-4-3-13(11-16(15)21(23)24)17(22)19(2)14-5-10-27(25,26)12-14/h3-4,11,14H,5-10,12H2,1-2H3/t14-/m0/s1