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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-3-nitro-4-piperidino-benzamide Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N[C@H]3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c20-16(17-13-6-9-25(23,24)11-13)12-4-5-14(15(10-12)19(21)22)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11H2,(H,17,20)/t13-/m0/s1