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

Systemtic Name: N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]-3-nitro-4-piperidino-benzamide Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(CCS(=O)(=O)C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5S/c1-17(7-10-26(24,25)12-17)18-16(21)13-5-6-14(15(11-13)20(22)23)19-8-3-2-4-9-19/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,21)/t17-/m1/s1