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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-butyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-butyl-N-[(3S)-1,1-diketothiolan-3-yl]-4-(4-methylpiperidino)sulfonyl-benzamide Formula: C21H32N2O5S2 MolecularWeight: 456.61918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H32N2O5S2/c1-3-4-12-23(19-11-15-29(25,26)16-19)21(24)18-5-7-20(8-6-18)30(27,28)22-13-9-17(2)10-14-22/h5-8,17,19H,3-4,9-16H2,1-2H3/t19-/m0/s1