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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-N-propyl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-methyl-1-piperidyl)-3-nitro-N-propyl-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-(4-methyl-1-piperidinyl)-3-nitro-N-propylbenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-N-propylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-4-(4-methylpiperidino)-3-nitro-N-propyl-benzamide Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O5S/c1-3-9-22(17-8-12-29(27,28)14-17)20(24)16-4-5-18(19(13-16)23(25)26)21-10-6-15(2)7-11-21/h4-5,13,15,17H,3,6-12,14H2,1-2H3/t17-/m0/s1