N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-isobutyl-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-methylpropyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-isobutyl-3-nitro-4-piperidino-benzamide Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-15(2)13-22(17-8-11-29(27,28)14-17)20(24)16-6-7-18(19(12-16)23(25)26)21-9-4-3-5-10-21/h6-7,12,15,17H,3-5,8-11,13-14H2,1-2H3/t17-/m0/s1