N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide Openeye Name: 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-isobutyl-3-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: 4-bromo-N-(1,1-dioxo-3-thiolanyl)-3-[(4-methyl-1-piperidinyl)sulfonyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-bromo-N-(1,1-dioxothiolan-3-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide Traditional Name: 4-bromo-N-(1,1-diketothiolan-3-yl)-N-isobutyl-3-(4-methylpiperidino)sulfonyl-benzamide Formula: C21H31BrN2O5S2 MolecularWeight: 535.51524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)Br

InChI

InChI=1S/C21H31BrN2O5S2/c1-15(2)13-24(18-8-11-30(26,27)14-18)21(25)17-4-5-19(22)20(12-17)31(28,29)23-9-6-16(3)7-10-23/h4-5,12,15-16,18H,6-11,13-14H2,1-3H3